chempirical

2-Bromo-1-fluoro-3-methylbenzene

C7H6BrFCAS 59907-13-0189.03 g/mol

Open in Covalent MOL file
FBr
Aryl halide

Properties

Molecular formula
C7H6BrF
Molar mass
189.03 g/mol
Exact mass
187.9637 Da
Boiling point
187 °C
logP
2.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
59907-13-0
SMILES
Cc1cccc(F)c1Br
InChIKey
FYCXRRYRNRDSRM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrF/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3

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Names and synonyms

2 names
  • Benzene, 2-bromo-1-fluoro-3-methyl-
  • 2-Bromo-3-fluorotoluene

Work with 2-Bromo-1-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-Bromo-1,3-dimethylbenzene576-22-765 % similar 2-Bromo-1,3-difluorobenzene64248-56-265 % similar 2-Fluorotoluene95-52-356 % similar 1,2-Difluoro-3-methylbenzene3828-49-756 % similar 3-Fluoro-O-xylene443-82-356 % similar 2-Bromo-3-fluoroaniline111721-75-652 % similar 2-Bromo-3-fluorophenol443-81-252 % similar 2-Bromo-3-methylbenzenamine54879-20-852 % 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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