chempirical

1-Bromo-2-chloro-4-fluoro-3-methylbenzene

C7H5BrClFCAS 203302-92-5223.47 g/mol

Open in Covalent MOL file
FBrCl
Aryl halide

Properties

Molecular formula
C7H5BrClF
Molar mass
223.47 g/mol
Exact mass
221.9247 Da
logP
3.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
203302-92-5
SMILES
Cc1c(F)ccc(Br)c1Cl
InChIKey
VHQALVHKNXDJRY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrClF/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,1H3

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Names and synonyms

2 names
  • Benzene, 1-bromo-2-chloro-4-fluoro-3-methyl-
  • 3-Bromo-2-chloro-6-fluorotoluene

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

Similar compounds

1-Bromo-3-fluoro-2-methylbenzene1422-54-459 % similar 1,3-Difluoro-2-methylbenzene443-84-546 % similar 2-Chloro-6-fluorotoluene443-83-444 % similar 4-Bromo-3-chloro-2-fluoroaniline115843-99-743 % similar 2-Bromo-4-chloro-1-fluorobenzene1996-30-142 % similar 2-Bromo-1-fluoro-4-methylbenzene452-62-042 % similar 4-Bromo-3-fluorotoluene452-74-442 % similar 1-Bromo-2,5-dichloro-3-fluorobenzene202865-57-441 % similar

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

Same formula

1-Bromo-2-chloro-5-fluoro-4-methylbenzene201849-17-4 1-Bromo-2-chloro-4-fluoro-5-methylbenzene201849-18-5 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-3 1-(Bromomethyl)-3-chloro-5-fluorobenzene493024-39-8 4-Chloro-2-fluorobenzyl bromide71916-82-0 2-(Bromomethyl)-1-chloro-4-fluorobenzene81778-09-8

Elsewhere

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