3-Amino-4-chlorobenzonitrile

C₇H₅ClN₂CAS 53312-79-1152.58 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₇H₅ClN₂
Molar mass: 152.58 g/mol
Exact mass: 152.0141 Da
Melting point: 92 °C
logP: 1.79Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

53312-79-1

SMILES

N#Cc1ccc(Cl)c(N)c1

InChIKey

KRBRYJLBILJHAS-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 3-amino-4-chloro-
2-Chloro-5-cyanoaniline

Work with 3-Amino-4-chlorobenzonitrile

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

3,4-Diaminobenzonitrile17626-40-364 % similar 3,4-Dichlorobenzonitrile6574-99-864 % similar 4-Chloro-3-fluorobenzonitrile110888-15-856 % similar 2-Amino-6-chlorobenzonitrile6575-11-753 % similar 4-Amino-3,5-dichlorobenzonitrile78473-00-452 % similar 3-Chloro-4-fluorobenzonitrile117482-84-552 % similar 3-Chloro-4-methylbenzonitrile21423-81-452 % similar 4-Amino-3-fluorobenzonitrile63069-50-152 % similar

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

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 6-Chloro-1H-pyrrolo[3,2-B]pyridine1021339-19-4 4-Chloro (1H)indazole13096-96-3 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4 6-Chloromethyl-2-cyanopyridine135450-23-6 4-Amino-2-chlorobenzonitrile20925-27-3 3-Chloroindazole29110-74-5 7-Chloro-1H-pyrrolo[2,3-C]pyridine357263-41-3

Elsewhere

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