chempirical

2,5-Dichlorobenzonitrile

C7H3Cl2NCAS 21663-61-6172.01 g/mol

Open in Covalent MOL file
NClCl
Aryl halideNitrile

Properties

Molecular formula
C7H3Cl2N
Molar mass
172.01 g/mol
Exact mass
170.9643 Da
Melting point
129 °C
logP
2.87Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
21663-61-6
SMILES
N#Cc1cc(Cl)ccc1Cl
InChIKey
LNGWRTKJZCBXGT-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • Benzonitrile, 2,5-dichloro-
  • NSC 166361

Work with 2,5-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

2-Chlorobenzonitrile873-32-562 % similar 2-Chloro-5-iodobenzonitrile289039-29-860 % similar 5-Chloro-2-fluorobenzonitrile57381-34-760 % similar 5-Bromo-2-chlorobenzonitrile57381-44-960 % similar 2-Chloro-5-fluorobenzonitrile57381-56-360 % similar 2-Amino-5-chlorobenzonitrile5922-60-160 % similar 2-Amino-4-chlorobenzonitrile38487-86-455 % similar 4-Chloro-2-methylbenzonitrile50712-68-055 % similar

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

Same formula

2,6-Dichlorobenzonitrile1194-65-6 2,3-Dichlorobenzonitrile6574-97-6 2,4-Dichlorobenzonitrile6574-98-7 3,4-Dichlorobenzonitrile6574-99-8 3,5-Dichlorobenzonitrile6575-00-4

Elsewhere

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