chempirical

4-Methyl-3-(trifluoromethyl)bromobenzene

C8H6BrF3CAS 86845-27-4239.04 g/mol

Open in Covalent MOL file
BrFFF
Alkyl halideAryl halide

Properties

Molecular formula
C8H6BrF3
Molar mass
239.04 g/mol
Exact mass
237.9605 Da
logP
3.78Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

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
86845-27-4
SMILES
CC1=C(C=C(C=C1)Br)C(F)(F)F
InChIKey
IZFVIEYHUOUPPH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrF3/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,1H3

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Work with 4-Methyl-3-(trifluoromethyl)bromobenzene

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-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-561 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-260 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-358 % similar 4-Bromo-2-(trifluoromethyl)phenol50824-04-958 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-256 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-356 % similar 4-Methyl-3-(trifluoromethyl)aniline65934-74-956 % similar 4-Bromo-1-methoxy-2-(trifluoromethyl)benzene1514-11-056 % similar

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

Same formula

2-Bromo-5-methylbenzotrifluoride261952-20-9 2-Trifluoromethylbenzyl bromide395-44-8 3-(Trifluoromethyl)benzyl bromide402-23-3 4-(Trifluoromethyl)benzyl bromide402-49-3 2-Bromo-1-methyl-4-(trifluoromethyl)benzene66417-30-9 2-Methyl-3-(trifluoromethyl)bromobenzene69902-83-6 3-Bromo-5-(trifluoromethyl)toluene86845-28-5

Elsewhere

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