chempirical

4-Amino-3,5-dichlorobenzonitrile

C7H4Cl2N2CAS 78473-00-4187.02 g/mol

Open in Covalent MOL file
NClNH2Cl
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H4Cl2N2
Molar mass
187.02 g/mol
Exact mass
185.9752 Da
Melting point
117–118 °C
logP
2.45Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
78473-00-4
SMILES
N#Cc1cc(Cl)c(N)c(Cl)c1
InChIKey
COFNCCWGWXFACE-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl2N2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2

Weigh it out

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

Names and synonyms

5 names
  • Benzonitrile, 4-amino-3,5-dichloro-
  • 4-Cyano-2,6-dichlorobenzenamine
  • 4-Cyano-2,6-dichloroaniline
  • 3,5-Dichloro-4-aminobenzonitrile
  • 2,6-Dichloro-4-cyanoaniline

Work with 4-Amino-3,5-dichlorobenzonitrile

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-Dichlorobenzonitrile6574-99-854 % similar 2-Amino-3-chlorobenzonitrile53312-77-953 % similar 4-Amino-3,5-dimethylbenzonitrile74896-24-552 % similar 3-Amino-4-chlorobenzonitrile53312-79-152 % similar 2,6-Dichloro-1,4-benzenediamine609-20-150 % similar 2,4,6-Trichloroaniline634-93-550 % similar 3,5-Dichlorobenzonitrile6575-00-448 % similar 3-Chloro-4-fluorobenzonitrile117482-84-547 % similar

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

Same formula

2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-4

Elsewhere

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