3,5-Dinitrobenzamide

C₇H₅N₃O₅CAS 121-81-3211.13 g/mol

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Properties

Molecular formula: C₇H₅N₃O₅
Molar mass: 211.13 g/mol
Exact mass: 211.0229 Da
Melting point: 184 °C
logP: 1.39Crippen estimate
Polar surface area: 130.4 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Identifiers

CAS number

121-81-3

SMILES

N=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

InChIKey

UUKWKUSGGZNXGA-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)

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Names and synonyms

5 names

Benzamide, 3,5-dinitro-
Nitromide
Unistat
Tristat
NSC 60719

Work with 3,5-Dinitrobenzamide

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

3-Nitrobenzamide645-09-073 % similar 4-Nitro-1,2-benzenedicarboxamide13138-53-960 % similar 5-Nitroisophthalic acid618-88-258 % similar 4-Chloro-3-nitrobenzamide16588-06-055 % similar Dinitolmide148-01-654 % similar Iniparib160003-66-754 % similar 4-Methyl-3-nitrobenzamide19013-11-754 % similar Aklomide3011-89-054 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook