1-Bromo-4,5-difluoro-2-methylbenzene

C₇H₅BrF₂CAS 875664-38-3207.02 g/mol

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Properties

Molecular formula: C₇H₅BrF₂
Molar mass: 207.02 g/mol
Exact mass: 205.9543 Da
logP: 3.04Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

875664-38-3

SMILES

Cc1cc(F)c(F)cc1Br

InChIKey

FKEURBCLFHOBDM-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3

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Names and synonyms

3 names

2-Bromo-4,5-difluorotoluene
4,5-Difluoro-2-methyl-1-bromobenzene
Benzene, 1-bromo-4,5-difluoro-2-methyl-

Work with 1-Bromo-4,5-difluoro-2-methylbenzene

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

2,5-Dibromo-P-xylene1074-24-462 % similar 1,2-Dibromo-4,5-difluorobenzene64695-78-962 % similar 1,5-Dibromo-2,4-dimethylbenzene615-87-259 % similar 1-Bromo-2,4,5-trifluorobenzene327-52-657 % similar 1-Bromo-2,4,5-trimethylbenzene5469-19-257 % similar 1-Bromo-2-chloro-5-fluoro-4-methylbenzene201849-17-455 % similar 1,4-Dibromo-2,5-difluorobenzene327-51-555 % similar 2-Bromo-4-fluorotoluene1422-53-350 % similar

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

Same formula

2,3-Difluorobenzyl bromide113211-94-2 2,4-Difluorobenzyl bromide23915-07-3 2,5-Difluorobenzyl bromide85117-99-3 2,6-Difluorobenzyl bromide85118-00-9 3,4-Difluorobenzyl bromide85118-01-0

Elsewhere

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