1-(Dichloromethyl)-3-fluorobenzene

C₇H₅Cl₂FCAS 402-64-2179.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₅Cl₂F
Molar mass: 179.02 g/mol
Exact mass: 177.9752 Da
Density: 1.3441 g/mL (at 20 °C)
Boiling point: 195–197 °C (at 756 Torr)
logP: 3.30Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

402-64-2

SMILES

Fc1cccc(C(Cl)Cl)c1

InChIKey

MVRCPAOYPLZMLB-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H

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Names and synonyms

4 names

Benzene, 1-(dichloromethyl)-3-fluoro-
Toluene, α,α-dichloro-m-fluoro-
m-Fluorobenzal chloride
NSC 60715

Work with 1-(Dichloromethyl)-3-fluorobenzene

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

1,3-Difluorobenzene372-18-950 % similar 3-Fluoro-α-methylbenzenemethanol402-63-150 % similar Benzal chloride98-87-350 % similar 1-Chloro-3-fluorobenzene625-98-946 % similar 2-(3-Fluorophenyl)pyrrolidine298690-72-944 % similar (2S)-2-(3-Fluorophenyl)pyrrolidine920274-04-044 % similar 3,3′-Difluoro-1,1′-biphenyl396-64-544 % similar α-Amino-3-fluorobenzeneacetic acid7292-74-242 % similar

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

Same formula

1-(Dichloromethyl)-2-fluorobenzene320-65-0 1-(Dichloromethyl)-4-fluorobenzene456-19-9 2-Chloro-6-fluorobenzyl chloride55117-15-2

Elsewhere

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