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Home > Nitro Compounds > 96385-50-1
96385-50-1 | 1,2-Benzenedicarboxamide, 3-nitro-
CAS No: 96385-50-1 Catalog No: AG00IJT0 MDL No:MFCD01115790
Product Description
Catalog Number:
AG00IJT0
Chemical Name:
1,2-Benzenedicarboxamide, 3-nitro-
CAS Number:
96385-50-1
Molecular Formula:
C8H7N3O4
Molecular Weight:
209.1589
MDL Number:
MFCD01115790
IUPAC Name:
3-nitrobenzene-1,2-dicarboxamide
InChI:
InChI=1S/C8H7N3O4/c9-7(12)4-2-1-3-5(11(14)15)6(4)8(10)13/h1-3H,(H2,9,12)(H2,10,13)
InChI Key:
GMOAOEGBMSRFFQ-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc(c1C(=O)N)[N+](=O)[O-]
EC Number:
619-209-9
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.161g/mol
Monoisotopic Mass:
209.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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