chempirical

1-Bromo-4-(difluoromethoxy)benzene

C7H5BrF2OCAS 5905-69-1223.02 g/mol

Open in Covalent MOL file
OFFBr
Alkyl halideAryl halideEther

Properties

Molecular formula
C7H5BrF2O
Molar mass
223.02 g/mol
Exact mass
221.9492 Da
logP
3.05Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

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
5905-69-1
SMILES
C1=CC(=CC=C1OC(F)F)Br
InChIKey
ORIYZUFTROJBQJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrF2O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H

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Names and synonyms

1 names
  • 4-(Difluoromethoxy)bromobenzene

Work with 1-Bromo-4-(difluoromethoxy)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

4-(Difluoromethoxy)phenol87789-47-762 % similar 3-(Difluoromethoxy)bromobenzene262587-05-359 % similar (Difluoromethoxy)benzene458-92-456 % similar 1-(Difluoromethoxy)-4-iodobenzene128140-82-956 % similar 1-(Difluoromethoxy)-4-methylbenzene1583-83-156 % similar 4-(Difluoromethoxy)aniline22236-10-856 % similar 4-(Difluoromethoxy)benzyl bromide3447-53-855 % similar 4-(Difluoromethoxy)benzaldehyde73960-07-352 % similar

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

Same formula

4-Bromo-2,6-difluoroanisole104197-14-0 4-Bromo-2,6-difluorobenzyl alcohol162744-59-4 1-Bromo-2-(difluoromethoxy)benzene175278-33-8 1-Bromo-4,5-difluoro-2-methoxybenzene202865-58-5 2-Bromo-4,6-difluoroanisole202865-59-6 1-Bromo-2,5-difluoro-4-methoxybenzene202865-60-9 2-Bromo-1,3-difluoro-5-methoxybenzene202865-61-0 5-Bromo-1,2-difluoro-3-methoxybenzene261762-35-0

Elsewhere

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