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

C7H5BrClFCAS 201849-17-4223.47 g/mol

Open in Covalent MOL file
ClBrF
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

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
201849-17-4
SMILES
Cc1cc(Cl)c(Br)cc1F
InChIKey
KKCFZSZRHRVSRA-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrClF/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,1H3

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Names and synonyms

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

Work with 1-Bromo-2-chloro-5-fluoro-4-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-methylbenzene159277-47-159 % similar 1-Bromo-4,5-difluoro-2-methylbenzene875664-38-355 % similar 2-Chloro-4-fluoro-5-methylaniline124185-35-952 % similar 2-Bromo-5-fluoro-4-methylaniline202865-78-952 % similar 2,5-Dichloro-p-xylene1124-05-644 % similar 1,4-Dibromo-2,5-difluorobenzene327-51-544 % similar 1,2-Dibromo-4,5-difluorobenzene64695-78-944 % similar 4-Bromo-3-chlorotoluene6627-51-644 % 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-4-fluoro-5-methylbenzene201849-18-5 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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