1-Bromo-4-chloro-2-(trifluoromethyl)benzene

C₇H₃BrClF₃CAS 344-65-0259.45 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃BrClF₃
Molar mass: 259.45 g/mol
Exact mass: 257.9059 Da
Melting point: 14.9–16.2 °C
Boiling point: 195–196 °C (at 740 Torr)
logP: 4.12Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

344-65-0

SMILES

FC(F)(F)c1cc(Cl)ccc1Br

InChIKey

OSTIALFVJOFNPP-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrClF3/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H

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Names and synonyms

4 names

Benzene, 1-bromo-4-chloro-2-(trifluoromethyl)-
Toluene, 2-bromo-5-chloro-α,α,α-trifluoro-
4-Chloro-2-(trifluoromethyl)bromobenzene
2-Bromo-5-chlorobenzotrifluoride

Work with 1-Bromo-4-chloro-2-(trifluoromethyl)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

1,4-Dichloro-2-(trifluoromethyl)benzene320-50-360 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-360 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-260 % similar 2-Bromo-5-fluorobenzotrifluoride40161-55-558 % similar 4-Chloro-1-iodo-2-(trifluoromethyl)benzene23399-77-156 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-256 % similar 2-Trifluoromethyl-4-chloroaniline445-03-456 % similar 2,4-Dichlorobenzotrifluoride320-60-555 % similar

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

Same formula

5-Bromo-2-chlorobenzotrifluoride445-01-2 3-Bromo-4-chlorobenzotrifluoride454-78-4 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-6

Elsewhere

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