5-Chloro-2,4-difluorobenzonitrile

C₇H₂ClF₂NCAS 146780-26-9173.55 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

146780-26-9

SMILES

C1=C(C(=CC(=C1Cl)F)F)C#N

InChIKey

JPKFRPZCKNFWIJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-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

2,4-Dichloro-5-fluorobenzonitrile128593-93-171 % similar 2,4,5-Trifluorobenzonitrile98349-22-565 % similar 2-Chloro-6-fluorobenzonitrile668-45-155 % 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 4-Amino-2,5-difluorobenzonitrile112279-61-550 % 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

Elsewhere

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