4-Bromo-2,6-difluorobenzyl alcohol

C₇H₅BrF₂OCAS 162744-59-4223.02 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₇H₅BrF₂O
Molar mass: 223.02 g/mol
Exact mass: 221.9492 Da
logP: 2.22Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

162744-59-4

SMILES

C1=C(C=C(C(=C1F)CO)F)Br

InChIKey

LSRHFWSNUFIKER-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF2O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3H2

Weigh it out

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

Work with 4-Bromo-2,6-difluorobenzyl alcohol

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

2,4,6-Trifluorobenzyl alcohol118289-07-962 % similar 2,6-Difluorobenzenemethanol19064-18-752 % similar 5-Bromo-2-fluorobenzenemethanol99725-13-052 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-250 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-950 % similar 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-250 % similar (3-Bromo-5-fluorophenyl)methanol216755-56-548 % similar 5-Bromo-2,3-difluorophenol186590-26-145 % similar

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

Same formula

4-Bromo-2,6-difluoroanisole104197-14-0 1-Bromo-2-(difluoromethoxy)benzene175278-33-8 1-Bromo-4,5-difluoro-2-methoxybenzene202865-58-5 1-Bromo-2,5-difluoro-4-methoxybenzene202865-60-9 2-Bromo-1,3-difluoro-5-methoxybenzene202865-61-0 5-Bromo-1,2-difluoro-3-methoxybenzene261762-35-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook