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Home Halogens Methyl 2-amino-5-bromobenzoate

Methyl 2-amino-5-bromobenzoate

CAS No.:
52727-57-8
Catalog Number:
AG00DDRZ
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$47
- +
100g
98%
In Stock USA
United States
$144
- +
500g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00DDRZ
Chemical Name:
Methyl 2-amino-5-bromobenzoate
CAS Number:
52727-57-8
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD01676902
IUPAC Name:
methyl 2-amino-5-bromobenzoate
InChI:
InChI=1S/C8H8BrNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
InChI Key:
QVNYNHCNNGKULA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)ccc1N
EC Number:
610-890-8
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Growth and characterization of Methyl 2-amino-5-bromobenzoate crystal for NLO applications. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121101
Methyl 2-amino-5-bromo-benzoate. Acta crystallographica. Section E, Structure reports online 20110801
6-Bromo-1-methyl-1H-2,1-benzothia-zin-4(3H)-one 2,2-dioxide. Acta crystallographica. Section E, Structure reports online 20090501
Methyl 5-bromo-2-[meth-yl(methyl-sulfon-yl)amino]benzoate. Acta crystallographica. Section E, Structure reports online 20090501
6-Bromo-1-ethyl-1H-2,1-benzothia-zin-4(3H)-one 2,2-dioxide. Acta crystallographica. Section E, Structure reports online 20090201
Properties