4-Amino-3-nitrobenzonitrile

C₇H₅N₃O₂CAS 6393-40-4163.14 g/mol

Open in Covalent MOL file

Nitrile Nitro Primary amine

Properties

Molecular formula: C₇H₅N₃O₂
Molar mass: 163.14 g/mol
Exact mass: 163.0382 Da
Melting point: 159–160 °C
logP: 1.05Crippen estimate
Polar surface area: 93.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

6393-40-4

SMILES

N#Cc1ccc(N)c([N+](=O)[O-])c1

InChIKey

JAHADAZIDZMHOP-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N3O2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzonitrile, 4-amino-3-nitro-
2-Nitro-4-cyanoaniline
4-Cyano-2-nitroaniline
3-Nitro-4-aminobenzonitrile

Work with 4-Amino-3-nitrobenzonitrile

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

4-Fluoro-3-nitrobenzonitrile1009-35-463 % similar 4-Cyano-2-nitrophenol3272-08-063 % similar 4-Methyl-3-nitrobenzonitrile939-79-763 % similar 4-Chloro-3-nitrobenzonitrile939-80-063 % similar 4-Amino-3-nitrophenol610-81-159 % similar 3-Methyl-4-nitrobenzonitrile96784-54-259 % similar 4-Amino-3-nitrophenyl thiocyanate54029-45-759 % similar Nitro-P-phenylenediamine5307-14-258 % similar

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

Same formula

5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-5 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-4 2-Cyano-4-nitroaniline17420-30-3 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-2 4-Nitro-1H-indazole2942-40-7 7-Nitroindazole2942-42-9 5-Nitroindazole5401-94-5 4-Azidobenzoic acid6427-66-3

Elsewhere

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