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1261551-41-0

1261551-41-0 | Benzeneacetic acid, 2-amino-4-nitro-

CAS No: 1261551-41-0 Catalog No: AG000RUA MDL No:

Product Description

Catalog Number:
AG000RUA
Chemical Name:
Benzeneacetic acid, 2-amino-4-nitro-
CAS Number:
1261551-41-0
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
IUPAC Name:
2-(2-amino-4-nitrophenyl)acetic acid
InChI:
InChI=1S/C8H8N2O4/c9-7-4-6(10(13)14)2-1-5(7)3-8(11)12/h1-2,4H,3,9H2,(H,11,12)
InChI Key:
CQIXWYFAMHIUPV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1N)[N+](=O)[O-]

Properties

Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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