chempirical

2-Amino-3-chlorobenzonitrile

C7H5ClN2CAS 53312-77-9152.58 g/mol

Open in Covalent MOL file
NClH2N
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H5ClN2
Molar mass
152.58 g/mol
Exact mass
152.0141 Da
Melting point
94–96 °C
logP
1.79Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
53312-77-9
SMILES
N#Cc1cccc(Cl)c1N
InChIKey
FAHVRFGAGJMXHW-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2

Weigh it out

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

Names and synonyms

4 names
  • Benzonitrile, 2-amino-3-chloro-
  • 2-Chloro-6-cyanoaniline
  • 3-Chloro-2-aminobenzonitrile
  • 2-Cyano-6-chloroaniline

Work with 2-Amino-3-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

2-Chlorobenzonitrile873-32-565 % similar 2-Amino-3-bromobenzonitrile114344-60-460 % similar 2,3-Dichlorobenzonitrile6574-97-659 % similar 2-Amino-3-fluorobenzonitrile115661-37-558 % similar 2,6-Dichloroaniline608-31-156 % similar 3-Chloro-2-fluorobenzonitrile94087-40-855 % similar 4-Amino-3,5-dichlorobenzonitrile78473-00-453 % similar 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-353 % 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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