chempirical

2-Amino-5-chlorobenzonitrile

C7H5ClN2CAS 5922-60-1152.58 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
97 °C
Boiling point
133.5 °C
logP
1.79Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
5922-60-1
SMILES
N#Cc1cc(Cl)ccc1N
InChIKey
QYRDWARBHMCOAG-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2

Weigh it out

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

Names and synonyms

9 names
  • Benzonitrile, 2-amino-5-chloro-
  • Anthranilonitrile, 5-chloro-
  • 2-Cyano-4-chloroaniline
  • 6-Amino-3-chlorobenzonitrile
  • 4-Chloro-2-cyanoaniline
  • 5-Chloroanthranilonitrile
  • 2-Amino-5-chlorobenzenecarbonitrile
  • 5-Chloro-2-aminobenzonitrile
  • 1-Cyano-2-amino-5-chlorobenzene

Work with 2-Amino-5-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-4-chlorobenzonitrile38487-86-472 % similar 2,5-Dichlorobenzonitrile21663-61-660 % similar 2-Amino-5-bromobenzonitrile39263-32-656 % similar 5-Chloro-2-fluorobenzonitrile57381-34-756 % similar 5-Chloro-2-methoxybenzonitrile55877-79-756 % similar 2,4-Dichlorobenzonitrile6574-98-755 % similar 4-Chloro-1,2-phenylenediamine95-83-054 % similar 2-Aminobenzonitrile1885-29-652 % 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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