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Home Halogens Benzoic acid, 2-amino-4-chloro-3-hydroxy-

Benzoic acid, 2-amino-4-chloro-3-hydroxy-

CAS No.:
23219-33-2
Catalog Number:
AG002MK1
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
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Product Description
Catalog Number:
AG002MK1
Chemical Name:
Benzoic acid, 2-amino-4-chloro-3-hydroxy-
CAS Number:
23219-33-2
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD20639114
IUPAC Name:
2-amino-4-chloro-3-hydroxybenzoic acid
InChI:
InChI=1S/C7H6ClNO3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10H,9H2,(H,11,12)
InChI Key:
VWEPFJPQZFIOAU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1N)O)Cl
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
187.579g/mol
Monoisotopic Mass:
187.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Effects of Kynurenine Pathway Metabolites on Intracellular NAD Synthesis and Cell Death in Human Primary Astrocytes and Neurons. International journal of tryptophan research : IJTR 20090101
4-chloro-3-hydroxyanthranilate reduces local quinolinic acid synthesis, improves functional recovery, and preserves white matter after spinal cord injury. Journal of neurotrauma 20060601
The mechanism of inactivation of 3-hydroxyanthranilate-3,4-dioxygenase by 4-chloro-3-hydroxyanthranilate. Biochemistry 20050531
Structural studies on 3-hydroxyanthranilate-3,4-dioxygenase: the catalytic mechanism of a complex oxidation involved in NAD biosynthesis. Biochemistry 20050531
Immunohistochemical visualization of newly formed quinolinate in the normal and excitotoxically lesioned rat striatum. Experimental brain research 20011201
Properties