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Home Halogens Benzenebutanoic acid, a,2-diamino-4-chloro-g-oxo-

Benzenebutanoic acid, a,2-diamino-4-chloro-g-oxo-

CAS No.:
75802-84-5
Catalog Number:
AG005UI9
Molecular Formula:
C10H11ClN2O3
Molecular Weight:
242.6589
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Product Description
Catalog Number:
AG005UI9
Chemical Name:
Benzenebutanoic acid, a,2-diamino-4-chloro-g-oxo-
CAS Number:
75802-84-5
Molecular Formula:
C10H11ClN2O3
Molecular Weight:
242.6589
MDL Number:
MFCD31561919
IUPAC Name:
2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C10H11ClN2O3/c11-5-1-2-6(7(12)3-5)9(14)4-8(13)10(15)16/h1-3,8H,4,12-13H2,(H,15,16)
InChI Key:
HQLHZNDJQSRKDT-UHFFFAOYSA-N
SMILES:
OC(=O)C(CC(=O)c1ccc(cc1N)Cl)N
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
242.659g/mol
Monoisotopic Mass:
242.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Literature
Title Journal
The kynurenine pathway in neurodegenerative diseases: mechanistic and therapeutic considerations. Journal of the neurological sciences 20121215
L-4-chlorokynurenine attenuates kainate-induced seizures and lesions in the rat. Experimental neurology 20020901
Excitotoxic injury stimulates pro-drug-induced 7-chlorokynurenate formation in the rat striatum in vivo. Neuroscience letters 20010525
Properties