chempirical

1-Bromo-2,4-difluoro-3-methylbenzene

C7H5BrF2CAS 221220-97-9207.02 g/mol

Open in Covalent MOL file
FBrF
Aryl halide

Properties

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

Identifiers

CAS number
221220-97-9
SMILES
CC1=C(C=CC(=C1F)Br)F
InChIKey
AISIRIFPPGLTCY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrF2/c1-4-6(9)3-2-5(8)7(4)10/h2-3H,1H3

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Names and synonyms

1 names
  • 3-Bromo-2,6-difluorotoluene

Work with 1-Bromo-2,4-difluoro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-2-chloro-4-fluoro-3-methylbenzene203302-92-560 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-457 % similar 1-Bromo-2,3-difluorobenzene38573-88-550 % similar 3-Bromo-2,6-difluorobenzaldehyde398456-82-148 % similar 1-Bromo-2-fluoro-3-methylbenzene59907-12-947 % similar 2-Bromo-1-fluoro-4-methylbenzene452-62-045 % similar 4-Bromo-3-fluorotoluene452-74-445 % similar 3-Bromo-2,6-difluorobenzoic acid28314-81-044 % similar

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

Same formula

2,3-Difluorobenzyl bromide113211-94-2 3,5-Difluorobenzyl bromide141776-91-2 1-Bromo-2,4-difluoro-5-methylbenzene159277-47-1 5-Bromo-1,3-difluoro-2-methylbenzene179617-08-4 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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