3,5-Dichlorobenzonitrile

C₇H₃Cl₂NCAS 6575-00-4172.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃Cl₂N
Molar mass: 172.01 g/mol
Exact mass: 170.9643 Da
Melting point: 64–65 °C
logP: 2.87Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

6575-00-4

SMILES

N#Cc1cc(Cl)cc(Cl)c1

InChIKey

PUJSUOGJGIECFQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 3,5-dichloro-
NSC 109596

Work with 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-Bromo-5-chlorobenzonitrile304854-55-568 % similar 3-Chloro-5-hydroxybenzonitrile473923-97-668 % similar 3-Chlorobenzonitrile766-84-763 % similar 4-Chlorobenzonitrile623-03-057 % similar 1,3,5-Trichlorobenzene108-70-350 % similar Chloroxynil1891-95-848 % similar 4-Amino-3,5-dichlorobenzonitrile78473-00-448 % similar Isophthalonitrile626-17-548 % similar

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

Same formula

2,6-Dichlorobenzonitrile1194-65-6 2,5-Dichlorobenzonitrile21663-61-6 2,3-Dichlorobenzonitrile6574-97-6 2,4-Dichlorobenzonitrile6574-98-7 3,4-Dichlorobenzonitrile6574-99-8

Elsewhere

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