chempirical

4-Amino-2-chlorobenzonitrile

C7H5ClN2CAS 20925-27-3152.58 g/mol

Open in Covalent MOL file
NNH2Cl
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H5ClN2
Molar mass
152.58 g/mol
Exact mass
152.0141 Da
Melting point
118 °C
logP
1.79Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
20925-27-3
SMILES
N#Cc1ccc(N)cc1Cl
InChIKey
ZFBKYGFPUCUYIF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2

Weigh it out

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

Names and synonyms

4 names
  • Benzonitrile, 4-amino-2-chloro-
  • 3-Chloro-4-cyanoaniline
  • 2-Chloro-4-aminobenzonitrile
  • (3-Chloro-4-cyanophenyl)amine

Work with 4-Amino-2-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

4-Amino-1,2-benzenedicarbonitrile56765-79-864 % similar 2,4-Dichlorobenzonitrile6574-98-760 % similar 2-Chlorobenzonitrile873-32-557 % similar 4-Bromo-2-chlorobenzonitrile154607-01-956 % similar 4-Amino-2-fluorobenzonitrile53312-80-456 % similar 2-Chloro-4-fluorobenzonitrile60702-69-456 % similar 3,4-Dichloroaniline95-76-154 % similar 2-Amino-3-chlorobenzonitrile53312-77-953 % 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 3-Chloroindazole29110-74-5 7-Chloro-1H-pyrrolo[2,3-C]pyridine357263-41-3 7-Chloro-1H-pyrrolo[3,2-B]pyridine357263-48-0

Elsewhere

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