chempirical

1-Bromo-4-difluoromethylbenzene

C7H5BrF2CAS 51776-71-7207.02 g/mol

Open in Covalent MOL file
FFBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H5BrF2
Molar mass
207.02 g/mol
Exact mass
205.9543 Da
logP
3.39Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

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
51776-71-7
SMILES
C1=CC(=CC=C1C(F)F)Br
InChIKey
HUSPSWKWFREKSS-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrF2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H

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Names and synonyms

1 names
  • 1-Bromo-4-(difluoromethyl)benzene

Work with 1-Bromo-4-difluoromethylbenzene

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-Bis(difluoromethyl)benzene369-54-067 % similar 1,4-Dibromobenzene106-37-650 % similar 1-Bromo-4-cyclopropylbenzene1124-14-750 % similar (Difluoromethyl)benzene455-31-250 % similar 1-Bromo-4-isopropylbenzene586-61-850 % similar 1-Bromo-3-(difluoromethyl)-5-fluorobenzene627526-90-346 % similar (1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-144 % similar 2-(4-Bromophenyl)-1,3-dioxolane10602-01-444 % similar

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

Same formula

2,3-Difluorobenzyl bromide113211-94-2 3,5-Difluorobenzyl bromide141776-91-2 1-Bromo-2,4-difluoro-5-methylbenzene159277-47-1 5-Bromo-1,3-difluoro-2-methylbenzene179617-08-4 1-Bromo-2,4-difluoro-3-methylbenzene221220-97-9 2,4-Difluorobenzyl bromide23915-07-3 2,5-Difluorobenzyl bromide85117-99-3 2,6-Difluorobenzyl bromide85118-00-9

Elsewhere

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