2-Chloro-4,5-difluorobenzonitrile

C₇H₂ClF₂NCAS 135748-34-4173.55 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

135748-34-4

SMILES

N#Cc1cc(F)c(F)cc1Cl

InChIKey

AKZDICFDUJUQRX-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

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

Work with 2-Chloro-4,5-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-fluorobenzonitrile128593-93-181 % similar 2,4,5-Trifluorobenzonitrile98349-22-562 % similar 2-Chloro-5-fluorobenzonitrile57381-56-355 % similar 2-Chloro-4-fluorobenzonitrile60702-69-455 % similar 2-Chloro-6-fluorobenzonitrile668-45-152 % similar 3-Chloro-2-fluorobenzonitrile94087-40-852 % similar 4-Chloro-3-fluorobenzonitrile110888-15-850 % similar 3-Chloro-4-fluorobenzonitrile117482-84-550 % similar

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

Same formula

4-Chloro-2,5-difluorobenzonitrile135748-35-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook