chempirical

1-Bromo-3-fluoro-2-methylbenzene

C7H6BrFCAS 1422-54-4189.03 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
177–180 °C
logP
2.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1422-54-4
SMILES
Cc1c(F)cccc1Br
InChIKey
DJGXPFQIMLEVPA-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

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Names and synonyms

3 names
  • Benzene, 1-bromo-3-fluoro-2-methyl-
  • Toluene, 2-bromo-6-fluoro-
  • 2-Bromo-6-fluorotoluene

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

Similar compounds

1,3-Difluoro-2-methylbenzene443-84-568 % similar 1-Bromo-2-chloro-4-fluoro-3-methylbenzene203302-92-559 % similar 3-Fluoro-O-xylene443-82-358 % similar 2-Chloro-6-fluorotoluene443-83-456 % similar 3-Fluoro-2-methylaniline443-86-756 % similar 1-Bromo-2-fluorobenzene1072-85-154 % similar 1-Bromo-2,3-difluorobenzene38573-88-554 % similar 1-Bromo-2,3-dimethylbenzene576-23-854 % 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-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 4-Fluorobenzyl bromide459-46-1

Elsewhere

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