1-Bromo-2-fluoro-3-methylbenzene

C₇H₆BrFCAS 59907-12-9189.03 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆BrF
Molar mass: 189.03 g/mol
Exact mass: 187.9637 Da
Boiling point: 185–186 °C
logP: 2.90Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

59907-12-9

SMILES

Cc1cccc(Br)c1F

InChIKey

LZVNGSFAHGKCDM-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrF/c1-5-3-2-4-6(8)7(5)9/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-2-fluoro-3-methyl-
3-Bromo-2-fluorotoluene

Work with 1-Bromo-2-fluoro-3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluoro-1,3-dimethylbenzene443-88-968 % similar 1,2-Difluoro-3-methylbenzene3828-49-758 % similar 1-Chloro-2-fluoro-3-methylbenzene85089-31-256 % similar 1-Bromo-2,3-difluorobenzene38573-88-554 % similar 1-Bromo-2,3-dimethylbenzene576-23-854 % similar 2-Bromo-6-methylphenol13319-71-650 % similar 3-Bromo-2-fluorobenzenamine58534-95-550 % similar 2-Bromo-1-fluoro-3-methylbenzene59907-13-048 % 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 1-Bromo-3-fluoro-5-methylbenzene202865-83-6 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

Elsewhere

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