chempirical

4-Nitrobenzamide

C7H6N2O3CAS 619-80-7166.14 g/mol

Open in Covalent MOL file
H2NON+OO−
AmideNitro

Properties

Molecular formula
C7H6N2O3
Molar mass
166.14 g/mol
Exact mass
166.0378 Da
Melting point
199–201 °C
logP
0.69Crippen estimate
Polar surface area
86.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
619-80-7
SMILES
NC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
ZESWUEBPRPGMTP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)

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Names and synonyms

4 names
  • Benzamide, 4-nitro-
  • Benzamide, p-nitro-
  • p-Nitrobenzamide
  • NSC 2902

Work with 4-Nitrobenzamide

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

1,4-Dinitrobenzene100-25-460 % similar P-Nitroacetophenone100-19-659 % similar 4-Nitrobenzoic acid hydrazide636-97-559 % similar 4-Nitrobenzophenone1144-74-758 % similar 4-Nitrobenzamidine hydrochloride15723-90-757 % similar Terephthalamide3010-82-056 % similar Methyl 4-nitrobenzoate619-50-154 % similar 4-Chloro-4′-nitrobenzophenone7497-60-154 % similar

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

Same formula

4-Nitrobenzaldehyde oxime1129-37-9 2-Nitrobenzamide610-15-1 3-Nitrobenzamide645-09-0 2-Nitrobenzaldehyde oxime6635-41-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook