1-Bromo-2-chloro-3-(trifluoromethyl)benzene

C₇H₃BrClF₃CAS 56131-47-6259.45 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
logP: 4.12Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

56131-47-6

SMILES

FC(F)(F)c1cccc(Br)c1Cl

InChIKey

DWTJMEQXGJMZMM-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

3 names

Benzene, 1-bromo-2-chloro-3-(trifluoromethyl)-
1-Bromo-2-chloro-3-trifluoromethylbenzene
3-Bromo-2-chlorobenzotrifluoride

Work with 1-Bromo-2-chloro-3-(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-Bromo-2-(trifluoromethyl)benzene392-83-662 % similar 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-261 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-859 % similar 2-Bromo-1,3-bis(trifluoromethyl)benzene118527-30-356 % similar 2-Chlorobenzotrifluoride88-16-448 % similar 1,2-Bis(trifluoromethyl)benzene433-95-448 % similar 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-147 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-347 % similar

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

Same formula

1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-0 5-Bromo-2-chlorobenzotrifluoride445-01-2 3-Bromo-4-chlorobenzotrifluoride454-78-4

Elsewhere

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