2,4-Dichloro-5-fluorobenzonitrile

C₇H₂Cl₂FNCAS 128593-93-1190.00 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₂Cl₂FN
Molar mass: 190.00 g/mol
Exact mass: 188.9548 Da
logP: 3.00Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

128593-93-1

SMILES

N#Cc1cc(F)c(Cl)cc1Cl

InChIKey

XZBZWBDTFUFZSU-UHFFFAOYSA-N

InChI

InChI=1S/C7H2Cl2FN/c8-5-2-6(9)7(10)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, 2,4-dichloro-5-fluoro-

Work with 2,4-Dichloro-5-fluorobenzonitrile

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-Chloro-4,5-difluorobenzonitrile135748-34-481 % similar 4-Chloro-2,5-difluorobenzonitrile135748-35-578 % similar 2,4,5-Trifluorobenzonitrile98349-22-554 % similar 4-Chloro-3-fluorobenzonitrile110888-15-853 % similar 3-Chloro-4-fluorobenzonitrile117482-84-553 % similar 2-Chloro-5-fluorobenzonitrile57381-56-353 % similar 2-Chloro-4-fluorobenzonitrile60702-69-453 % similar 2-Chloro-6-fluorobenzonitrile668-45-150 % similar

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

Elsewhere

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