3-Chloro-2,4-difluorobenzonitrile

C₇H₂ClF₂NCAS 887267-38-1173.55 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₂ClF₂N
Molar mass: 173.55 g/mol
Exact mass: 172.9844 Da
logP: 2.49Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

887267-38-1

SMILES

C1=CC(=C(C(=C1C#N)F)Cl)F

InChIKey

GPMCRPWQJBLUIO-UHFFFAOYSA-N

InChI

InChI=1S/C7H2ClF2N/c8-6-5(9)2-1-4(3-11)7(6)10/h1-2H

Weigh it out

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

Work with 3-Chloro-2,4-difluorobenzonitrile

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

2,3,4-Trifluorobenzonitrile143879-80-566 % similar 2-Chloro-3-fluorobenzonitrile874781-08-561 % similar 2-Chloro-4-fluoro-3-methylbenzonitrile796600-15-259 % similar 2,3-Difluorobenzonitrile21524-39-058 % similar 2,4-Dichloro-3-fluorobenzonitrile161612-68-658 % similar 2,4-Difluoro-3-methylbenzonitrile847502-87-858 % similar 4-Amino-2-chloro-3-fluorobenzonitrile757247-99-754 % similar 2,4-Difluoro-3-methoxybenzonitrile220353-20-853 % similar

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

Same formula

2-Chloro-4,5-difluorobenzonitrile135748-34-4 4-Chloro-2,5-difluorobenzonitrile135748-35-5 5-Chloro-2,4-difluorobenzonitrile146780-26-9 3-Chloro-2,6-difluorobenzonitrile86225-73-2

Elsewhere

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