5-Bromo-2-chlorobenzotrifluoride

C₇H₃BrClF₃CAS 445-01-2259.45 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: −21.9–20.5 °C
Boiling point: 197–198 °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

445-01-2

SMILES

FC(F)(F)c1cc(Br)ccc1Cl

InChIKey

XGOCKBMEZPNDPJ-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

7 names

Benzene, 4-bromo-1-chloro-2-(trifluoromethyl)-
Toluene, 5-bromo-2-chloro-α,α,α-trifluoro-
4-Bromo-1-chloro-2-(trifluoromethyl)benzene
4-Chloro-3-trifluoromethylphenyl bromide
1-Bromo-4-chloro-3-(trifluoromethyl)benzene
5-Bromo-2-chloro-1-trifluoromethylbenzene
1-Bromo-4-chloro-5-(trifluoromethyl)benzene

Work with 5-Bromo-2-chlorobenzotrifluoride

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-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-363 % similar 4-Chloro-3-(trifluoromethyl)phenol6294-93-561 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-360 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-260 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-358 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-456 % similar 4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-556 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-356 % similar

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

Same formula

1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-0 3-Bromo-4-chlorobenzotrifluoride454-78-4 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-6

Elsewhere

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