4-Chloro-2-nitrobenzonitrile

C₇H₃ClN₂O₂CAS 34662-32-3182.56 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Nitro

Properties

Molecular formula: C₇H₃ClN₂O₂
Molar mass: 182.56 g/mol
Exact mass: 181.9883 Da
Melting point: 97 °C
logP: 2.12Crippen estimate
Polar surface area: 66.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

34662-32-3

SMILES

N#Cc1ccc(Cl)cc1[N+](=O)[O-]

InChIKey

OZKOAADVLVCNFO-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H

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Names and synonyms

2 names

Benzonitrile, 4-chloro-2-nitro-
NSC 93896

Work with 4-Chloro-2-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-Methyl-2-nitrobenzonitrile26830-95-563 % similar 4-Chloro-1,2-dinitrobenzene610-40-262 % similar 2-Nitrobenzonitrile612-24-860 % similar 2-Nitro-4-(trifluoromethyl)benzonitrile778-94-959 % similar 1,4-Dichloro-2-nitrobenzene89-61-258 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-655 % similar 1-Bromo-4-chloro-2-nitrobenzene41513-04-655 % similar 4-Chloro-1-methyl-2-nitrobenzene89-59-855 % similar

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

Same formula

2,1,3-Benzoxadiazole-5-carbonyl chloride126147-86-2 2-Chloro-5-nitrobenzonitrile16588-02-6 5-Chloro-2-nitrobenzonitrile34662-31-2 2-Chloro-6-nitrobenzonitrile6575-07-1 4-Chloro-3-nitrobenzonitrile939-80-0

Elsewhere

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