4-Bromo-2,6-difluorobenzyl alcohol

C7H5BrF2OCAS 162744-59-4223.02 g/mol

Open in Covalent MOL file
FHOFBr
AlcoholAryl 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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 4-Bromo-2-fluorobenzyl alcohol188582-62-957 % similar 4-Bromo-2,6-difluorophenol104197-13-952 % similar 2,6-Difluorobenzenemethanol19064-18-752 % similar 5-Bromo-2-fluorobenzenemethanol99725-13-052 % similar 2-(4-Bromo-2,6-difluorophenyl)acetic acid537033-54-852 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-250 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-950 % 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 2-Bromo-4,6-difluoroanisole202865-59-6 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 3-(Difluoromethoxy)bromobenzene262587-05-3

Elsewhere

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