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

C₇H₅BrClFCAS 201849-17-4223.47 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅BrClF
Molar mass: 223.47 g/mol
Exact mass: 221.9247 Da
logP: 3.55Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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-4,5-difluoro-2-methylbenzene875664-38-355 % similar 2-Chloro-4-fluoro-5-methylaniline124185-35-952 % 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 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene18349-11-644 % similar 1-Bromo-2-chloro-4-fluorobenzene110407-59-542 % similar 2-Bromo-1-chloro-4-fluorobenzene201849-15-242 % similar

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

Same formula

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 1-(Bromomethyl)-3-chloro-5-fluorobenzene493024-39-8 4-Chloro-2-fluorobenzyl bromide71916-82-0 2-(Bromomethyl)-1-chloro-4-fluorobenzene81778-09-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook