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1261522-96-6 | Benzeneacetic acid, 2-amino-6-nitro-
CAS No: 1261522-96-6 Catalog No: AG000RT7 MDL No:
Product Description
Catalog Number:
AG000RT7
Chemical Name:
Benzeneacetic acid, 2-amino-6-nitro-
CAS Number:
1261522-96-6
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
IUPAC Name:
2-(2-amino-6-nitrophenyl)acetic acid
InChI:
InChI=1S/C8H8N2O4/c9-6-2-1-3-7(10(13)14)5(6)4-8(11)12/h1-3H,4,9H2,(H,11,12)
InChI Key:
JVYKFUSIZNWWFB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(N)cccc1[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:
0.5
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