4-Chloro-3-(trifluoromethyl)benzyl bromide

C₈H₅BrClF₃CAS 261763-23-9273.48 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₅BrClF₃
Molar mass: 273.48 g/mol
Exact mass: 271.9215 Da
logP: 4.25Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

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

261763-23-9

SMILES

C1=CC(=C(C=C1CBr)C(F)(F)F)Cl

InChIKey

LZLIPLUATRVXSB-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrClF3/c9-4-5-1-2-7(10)6(3-5)8(11,12)13/h1-3H,4H2

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Work with 4-Chloro-3-(trifluoromethyl)benzyl bromide

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

4-Chloro-3-(trifluoromethyl)benzylamine62039-92-365 % similar 4-Chloro-3-(trifluoromethyl)benzyl alcohol65735-71-965 % similar 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-162 % similar 3,4-Dichlorobenzyl bromide18880-04-158 % similar 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene213203-65-757 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-356 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-256 % similar 4-(Bromomethyl)-1-methoxy-2-(trifluoromethyl)benzene261951-89-755 % similar

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

Same formula

2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-2 2-(Bromomethyl)-4-chloro-1-(trifluoromethyl)benzene261763-24-0

Elsewhere

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