4-(Bromomethyl)-1-chloro-2-fluorobenzene

C₇H₅BrClFCAS 206362-80-3223.47 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₅BrClF
Molar mass: 223.47 g/mol
Exact mass: 221.9247 Da
logP: 3.37Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

206362-80-3

SMILES

Fc1cc(CBr)ccc1Cl

InChIKey

CNUYBEIHDWMLSD-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrClF/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

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Names and synonyms

2 names

Benzene, 4-(bromomethyl)-1-chloro-2-fluoro-
4-Chloro-3-fluorobenzyl bromide

Work with 4-(Bromomethyl)-1-chloro-2-fluorobenzene

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

3,4-Dichlorobenzyl bromide18880-04-164 % similar 3,4-Difluorobenzyl bromide85118-01-064 % similar 1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-458 % similar 4-Bromo-1-chloro-2-fluorobenzene60811-18-952 % similar 1-Chloro-2,4-difluorobenzene1435-44-550 % similar 3,4,5-Trifluorobenzyl bromide220141-72-050 % similar 2-(Bromomethyl)-4-chloro-1,3-difluorobenzene261762-47-450 % similar 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-149 % 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 1-Bromo-2-chloro-4-fluoro-3-methylbenzene203302-92-5 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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