Home Other Building Blocks 2-Bromobenzoic acid

2-Bromobenzoic acid

CAS No.:
88-65-3
Catalog Number:
AG003364
Molecular Formula:
C7H5BrO2
Molecular Weight:
201.0174
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$8
- +
25g
95%
In Stock USA
United States
$13
- +
100g
95%
In Stock USA
United States
$25
- +
500g
95%
In Stock USA
United States
$75
- +
Product Description
Catalog Number:
AG003364
Chemical Name:
2-Bromobenzoic acid
CAS Number:
88-65-3
Molecular Formula:
C7H5BrO2
Molecular Weight:
201.0174
MDL Number:
MFCD00002402
IUPAC Name:
2-bromobenzoic acid
InChI:
InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChI Key:
XRXMNWGCKISMOH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Br
EC Number:
201-848-6
UNII:
AZ789TZS4L
NSC Number:
6976
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.947g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.019g/mol
Monoisotopic Mass:
199.947g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
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Assembly of 3-substituted isocoumarins via a CuI-catalyzed domino coupling/addition/deacylation process. The Journal of organic chemistry 20120302
An efficient palladium-benzimidazolyl phosphine complex for the Suzuki-Miyaura coupling of aryl mesylates: facile ligand synthesis and metal complex characterization. Chemical communications (Cambridge, England) 20120214
Vibrational spectroscopic analysis of 2-bromobenzoic and anthranilic acids: a combined experimental and theoretical study. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901
[(2R,5R,6S,9R)-6-Isopropyl-9-methyl-1,4-dioxaspiro-[4.5]decan-2-yl]methyl 4-bromo-benzoate. Acta crystallographica. Section E, Structure reports online 20110301
Diaqua-bis-(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)cobalt(II). Acta crystallographica. Section E, Structure reports online 20100901
FT-IR and FT-Raman vibrational assignment of 2-bromobenzoic acid with the help of ab initio and DFT calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091201
catena-Poly[[diaqua-strontium]-bis-(μ-2-bromo-benzoato)-κO,O':O';κO:O,O']. Acta crystallographica. Section E, Structure reports online 20091201
Bis(2,2'-bipyridine-κN,N')dibromido-cadmium(II). Acta crystallographica. Section E, Structure reports online 20091101
Diaqua-bis(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)nickel(II). Acta crystallographica. Section E, Structure reports online 20090701
Diaqua-bis(2-bromo-benzoato-κO)bis-(nicotinamide-κN)nickel(II). Acta crystallographica. Section E, Structure reports online 20090701
Diaqua-bis(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)zinc(II). Acta crystallographica. Section E, Structure reports online 20090501
Diaqua-bis(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)manganese(II). Acta crystallographica. Section E, Structure reports online 20090501
Diaqua-bis(2-bromo-benzoato-κO)bis-(nicotinamide-κN)zinc(II). Acta crystallographica. Section E, Structure reports online 20090501
5-(2-Bromo-phen-yl)-1,3,4-thia-diazol-2-amine. Acta crystallographica. Section E, Structure reports online 20081001
Diaquabis(4-bromo-benzoato-κO)-bis(N,N'-diethyl-nicotinamide-κN)zinc(II). Acta crystallographica. Section E, Structure reports online 20080901
Diaqua-bis(4-bromo-benzoato-κO,O')zinc(II). Acta crystallographica. Section E, Structure reports online 20080301
Decaspirones F-I, bioactive secondary metabolites from the saprophytic fungus Helicoma viridis. Journal of natural products 20061201
Synthesis and structure of bifunctional N-alkylbenzimidazole phenylboronate derivatives. Organic & biomolecular chemistry 20060907
Caryophyllene sesquiterpenoids from a fungicolous isolate of Pestalotiopsis disseminata. Journal of natural products 20060401
Synthesis of phthalide derivatives using nickel-catalyzed cyclization of o-haloesters with aldehydes. Chemistry (Weinheim an der Bergstrasse, Germany) 20040621
New reagent for protein-DNA contacts footprinting. Nucleosides, nucleotides & nucleic acids 20030101
Synthesis and cytotoxic activity of benzophenanthrolinone analogues of acronycine. Chemical & pharmaceutical bulletin 20010901
Characterization of halobenzoate-degrading, denitrifying Azoarcus and Thauera isolates and description of Thauera chlorobenzoica sp. nov. International journal of systematic and evolutionary microbiology 20010301
Properties