4-Nitro-1,2-benzenedicarboxamide

C₈H₇N₃O₄CAS 13138-53-9209.16 g/mol

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Properties

Molecular formula: C₈H₇N₃O₄
Molar mass: 209.16 g/mol
Exact mass: 209.0437 Da
Melting point: 189–191 °C
logP: 1.36Crippen estimate
Polar surface area: 131.3 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3

Identifiers

CAS number

13138-53-9

SMILES

N=C(O)c1ccc([N+](=O)[O-])cc1C(=N)O

InChIKey

XWCDSCYRIROFIO-UHFFFAOYSA-N

InChI

InChI=1S/C8H7N3O4/c9-7(12)5-2-1-4(11(14)15)3-6(5)8(10)13/h1-3H,(H2,9,12)(H2,10,13)

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Names and synonyms

3 names

1,2-Benzenedicarboxamide, 4-nitro-
4-Nitrophthalamide
NSC 94821

Work with 4-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

Aklomide3011-89-073 % similar 3-Nitrobenzamide645-09-061 % similar 3,5-Dinitrobenzamide121-81-360 % similar Dinitolmide148-01-660 % similar 2,5-Dinitrobenzoic acid610-28-656 % similar 2,4-Dinitrobenzoic acid610-30-056 % similar 2-Nitrobenzamide610-15-155 % similar 2-Amino-4-nitrobenzoic acid619-17-055 % similar

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

Same formula

3-Nitro-1,2-benzenedicarboxamide96385-50-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook