2-Chloro-4-fluorobenzotrichloride

C₇H₃Cl₄FCAS 88578-92-1247.90 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

88578-92-1

SMILES

C1=CC(=C(C=C1F)Cl)C(Cl)(Cl)Cl

InChIKey

VAHJAZWBSMAVQL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Chloro-4-fluorobenzotrichloride

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 1,2-Dichloro-4-fluorobenzene1435-49-056 % similar O-Chlorobenzotrichloride2136-89-254 % similar 1-Chloro-2,5-difluorobenzene2367-91-152 % similar 1-Fluoro-3-(trichloromethyl)benzene401-77-450 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-350 % similar 2-Chloro-4-fluoro-1-iodobenzene101335-11-948 % similar 1-Bromo-2-chloro-4-fluorobenzene110407-59-548 % similar

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

Same formula

4-Chloro-2-fluoro-1-(trichloromethyl)benzene179111-13-8

Elsewhere

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