3-Nitro-1,2-benzenedicarboxamide

C₈H₇N₃O₄CAS 96385-50-1209.16 g/mol

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Properties

Molecular formula: C₈H₇N₃O₄
Molar mass: 209.16 g/mol
Exact mass: 209.0437 Da
Melting point: 204–204.5 °C
logP: 1.36Crippen estimate
Polar surface area: 131.3 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3

Identifiers

CAS number

96385-50-1

SMILES

N=C(O)c1cccc([N+](=O)[O-])c1C(=N)O

InChIKey

GMOAOEGBMSRFFQ-UHFFFAOYSA-N

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)

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Names and synonyms

2 names

1,2-Benzenedicarboxamide, 3-nitro-
3-Nitrophthalamide

Work with 3-Nitro-1,2-benzenedicarboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Nitrobenzamide610-15-174 % similar 1,5-Dinitro-9,10-anthracenedione82-35-955 % similar 1,8-Dinitro-9,10-anthracenedione129-39-554 % similar 2-Nitrobenzoic acid552-16-954 % similar 3-Nitrophthalimide603-62-353 % similar 2-Chloro-3-nitrobenzoic acid3970-35-252 % similar 2-Chloro-6-nitrobenzoic acid5344-49-052 % similar 3-Nitrosalicylic acid85-38-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitro-1,2-benzenedicarboxamide13138-53-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook