2-Bromo-1,3-bis(trifluoromethyl)benzene

C₈H₃BrF₆CAS 118527-30-3293.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₃BrF₆
Molar mass: 293.01 g/mol
Exact mass: 291.9322 Da
logP: 4.49Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

118527-30-3

SMILES

C1=CC(=C(C(=C1)C(F)(F)F)Br)C(F)(F)F

InChIKey

KMISZWJLTZOROU-UHFFFAOYSA-N

InChI

InChI=1S/C8H3BrF6/c9-6-4(7(10,11)12)2-1-3-5(6)8(13,14)15/h1-3H

Weigh it out

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

Names and synonyms

1 names

2,6-Bis(trifluoromethyl)bromobenzene

Work with 2-Bromo-1,3-bis(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

2-Bromo-3-fluorobenzotrifluoride104540-42-372 % similar 2-Bromo-3-(trifluoromethyl)benzenamine58458-10-969 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-658 % similar 1,2-Bis(trifluoromethyl)benzene433-95-457 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-856 % similar 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-656 % similar 2-Chlorobenzotrifluoride88-16-450 % similar 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-246 % similar

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

Same formula

1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-3 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-1

Elsewhere

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