1-Bromo-3-fluoro-5-methylbenzene

C₇H₆BrFCAS 202865-83-6189.03 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆BrF
Molar mass: 189.03 g/mol
Exact mass: 187.9637 Da
logP: 2.90Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

202865-83-6

SMILES

Cc1cc(F)cc(Br)c1

InChIKey

CTNFNUQREIIROB-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrF/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3

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

Names and synonyms

2 names

Benzene, 1-bromo-3-fluoro-5-methyl-
3-Bromo-5-fluorotoluene

Work with 1-Bromo-3-fluoro-5-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

3,5-Difluorotoluene117358-51-764 % similar 1,3-Dibromo-5-fluorobenzene1435-51-464 % similar 3,5-Dibromotoluene1611-92-364 % similar 1-Bromo-3,5-difluorobenzene461-96-164 % similar 3-Fluoro-5-methylphenol216976-31-752 % similar 3-Bromo-5-methylbenzenamine74586-53-150 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-647 % similar 1-Bromo-3-(bromomethyl)-5-fluorobenzene216755-57-647 % similar

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

Same formula

2-Bromo-4-fluorotoluene1422-53-3 1-Bromo-3-fluoro-2-methylbenzene1422-54-4 2-Fluorobenzyl bromide446-48-0 2-Bromo-1-fluoro-4-methylbenzene452-62-0 2-Bromo-5-fluorotoluene452-63-1 4-Bromo-3-fluorotoluene452-74-4 3-Fluorobenzyl bromide456-41-7 4-Fluorobenzyl bromide459-46-1

Elsewhere

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