4-Chloro-2,5-difluorobenzonitrile

C₇H₂ClF₂NCAS 135748-35-5173.55 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

Identifiers

CAS number

135748-35-5

SMILES

N#Cc1cc(F)c(Cl)cc1F

InChIKey

OMVDTUXOHXQKML-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Benzonitrile, 4-chloro-2,5-difluoro-

Work with 4-Chloro-2,5-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

2,4-Dichloro-5-fluorobenzonitrile128593-93-178 % similar 2,4,5-Trifluorobenzonitrile98349-22-565 % similar 2,5-Difluoro-4-methylbenzonitrile1003708-66-455 % similar 4-Amino-2,5-difluorobenzonitrile112279-61-555 % similar 4-Chloro-3-fluorobenzonitrile110888-15-853 % similar 3-Chloro-4-fluorobenzonitrile117482-84-553 % similar 5-Chloro-2-fluorobenzonitrile57381-34-753 % similar 4-Chloro-2-fluorobenzonitrile57381-51-853 % similar

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

Same formula

2-Chloro-4,5-difluorobenzonitrile135748-34-4 5-Chloro-2,4-difluorobenzonitrile146780-26-9

Elsewhere

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