1-Bromo-2-chloro-4-fluoro-5-methylbenzene

C7H5BrClFCAS 201849-18-5223.47 g/mol

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BrClF
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
201849-18-5
SMILES
Cc1cc(Br)c(Cl)cc1F
InChIKey
DNHPIRQSZOBOQL-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrClF/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,1H3

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Names and synonyms

2 names
  • Benzene, 1-bromo-2-chloro-4-fluoro-5-methyl-
  • 5-Bromo-4-chloro-2-fluorotoluene

Work with 1-Bromo-2-chloro-4-fluoro-5-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-2,4-difluoro-5-methylbenzene159277-47-164 % similar 2-Chloro-4-fluoro-5-methylaniline124185-35-956 % similar 2-Bromo-5-fluoro-4-methylaniline202865-78-956 % similar 1-Bromo-4,5-difluoro-2-methylbenzene875664-38-350 % similar 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene18349-11-647 % similar 1-Bromo-4-chloro-2-fluoro-5-methoxy-benzene146447-18-947 % similar 2,5-Dibromo-p-xylene1074-24-444 % similar 4,5-Dibromo-O-xylene24932-48-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-fluorobenzyl bromide192702-01-5 1-Bromo-2-chloro-5-fluoro-4-methylbenzene201849-17-4 1-Bromo-2-chloro-4-fluoro-3-methylbenzene203302-92-5 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-3 2-Chloro-4-fluorobenzyl bromide45767-66-6 1-(Bromomethyl)-3-chloro-5-fluorobenzene493024-39-8 2-Chloro-6-fluorobenzyl bromide68220-26-8 4-Chloro-2-fluorobenzyl bromide71916-82-0

Elsewhere

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