Home Other Building Blocks 3-Bromobenzoic acid

3-Bromobenzoic acid

CAS No.:
585-76-2
Catalog Number:
AG0033MQ
Molecular Formula:
C7H5BrO2
Molecular Weight:
201.0174
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$23
- +
100g
98%
In Stock USA
United States
$75
- +
Product Description
Catalog Number:
AG0033MQ
Chemical Name:
3-Bromobenzoic acid
CAS Number:
585-76-2
Molecular Formula:
C7H5BrO2
Molecular Weight:
201.0174
MDL Number:
MFCD00002487
IUPAC Name:
3-bromobenzoic acid
InChI:
InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChI Key:
VOIZNVUXCQLQHS-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)O
EC Number:
209-562-3
UNII:
7DCT3A73LX
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:
2.9  
Literature
Title Journal
Enzymes involved in the anaerobic degradation of meta-substituted halobenzoates. Molecular microbiology 20111101
Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds. Organic & biomolecular chemistry 20110521
In-line coupling of two-phase single drop microextraction and large volume stacking using an electroosmotic flow pump in nonaqueous capillary electrophoresis. Journal of chromatography. A 20090911
Toxicity and quantitative structure-activity relationships of benzoic acids to Pseudokirchneriella subcapitata. Journal of hazardous materials 20090615
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-bromo-benzoate. Acta crystallographica. Section E, Structure reports online 20090501
3-Bromo-N'-(2-hydroxy-benzyl-idene)benzohydrazide. Acta crystallographica. Section E, Structure reports online 20080201
Analysis of the phase solubility diagram of a phenacetin/competitor/beta-cyclodextrin ternary system, involving competitive inclusion complexation. Chemical & pharmaceutical bulletin 20010101
Properties