3-Chloro-2,6-difluorobenzonitrile

C₇H₂ClF₂NCAS 86225-73-2173.55 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

86225-73-2

SMILES

C1=CC(=C(C(=C1F)C#N)F)Cl

InChIKey

QYALCKFGISNFMJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-Chloro-2,6-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

2,3,6-Trifluorobenzonitrile136514-17-568 % similar 2-Chloro-6-fluorobenzonitrile668-45-161 % similar 2,6-Difluorobenzonitrile1897-52-555 % similar 2,3,4-Trifluorochlorobenzene36556-42-055 % similar 2,4-Dichloro-3-fluorobenzonitrile161612-68-653 % similar 3-Chloro-2,6-difluorobenzeneacetonitrile261762-55-453 % similar 2,4-Difluoro-3-cyanophenylboronic acid871940-31-753 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-352 % 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-2,4-difluorobenzonitrile887267-38-1

Elsewhere

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