4-Chloro-2-fluoro-1-(trichloromethyl)benzene

C₇H₃Cl₄FCAS 179111-13-8247.90 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃Cl₄F
Molar mass: 247.90 g/mol
Exact mass: 245.8973 Da
logP: 4.31Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

179111-13-8

SMILES

C1=CC(=C(C=C1Cl)F)C(Cl)(Cl)Cl

InChIKey

ACYJYVSUQNUQDV-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl4F/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3H

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Names and synonyms

1 names

4-Chloro-2-fluorobenzotrichloride

Work with 4-Chloro-2-fluoro-1-(trichloromethyl)benzene

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-Dichlorobenzotrichloride13014-18-159 % similar 4-Chloro-1,2-difluorobenzene696-02-656 % similar 2,5-Dichlorofluorobenzene348-59-452 % similar 1-Fluoro-2-(trichloromethyl)benzene488-98-252 % similar 4-Chloro-1-fluoro-2-(trifluoromethyl)benzene89634-74-250 % similar 1-Bromo-4-chloro-2-fluorobenzene1996-29-848 % similar 4-Chloro-2-fluorophenol348-62-948 % similar 4-Chloro-2-fluoro-1-methylbenzene452-75-548 % similar

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

Same formula

2-Chloro-4-fluorobenzotrichloride88578-92-1

Elsewhere

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