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Home Halogens 2-Amino-5-chlorobenzoic acid

2-Amino-5-chlorobenzoic acid

CAS No.:
635-21-2
Catalog Number:
AG00333O
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$17
- +
100g
98%
In Stock USA
United States
$57
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00333O
Chemical Name:
2-Amino-5-chlorobenzoic acid
CAS Number:
635-21-2
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD00007838
IUPAC Name:
2-amino-5-chlorobenzoic acid
InChI:
InChI=1S/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChI Key:
IFXKXCLVKQVVDI-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)O)N
EC Number:
211-230-8
UNII:
Z2Y66JMI31
NSC Number:
404157
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Dihydroquinazolines as a novel class of Trypanosoma brucei trypanothione reductase inhibitors: discovery, synthesis, and characterization of their binding mode by protein crystallography. Journal of medicinal chemistry 20111013
Methyl 2-amino-5-chloro-benzoate. Acta crystallographica. Section E, Structure reports online 20101101
6-Chloro-3-phenethyl-2-thioxo-2,3-di-hydro-quinazolin-4(1H)-one. Acta crystallographica. Section E, Structure reports online 20100401
Properties