2-Chloro-3,6-difluorobenzenemethanol

C7H5ClF2OCAS 261762-44-1178.56 g/mol

Open in Covalent MOL file
HOFFCl
AlcoholAryl halide

Properties

Molecular formula
C7H5ClF2O
Molar mass
178.56 g/mol
Exact mass
177.9997 Da
logP
2.11Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
261762-44-1
SMILES
OCc1c(F)ccc(F)c1Cl
InChIKey
SWOINHLBPZMVBC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClF2O/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2,11H,3H2

Weigh it out

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

Names and synonyms

2 names
  • Benzenemethanol, 2-chloro-3,6-difluoro-
  • (2-Chloro-3,6-difluorophenyl)methanol

Work with 2-Chloro-3,6-difluorobenzenemethanol

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-Chloro-6-fluoro-3-methylbenzyl alcohol261762-83-870 % similar 2,6-Difluorobenzenemethanol19064-18-762 % similar 2-Chloro-3,6-difluorobenzenemethanamine261762-45-259 % similar 2-(Bromomethyl)-3-chloro-1,4-difluorobenzene90292-67-459 % similar 2,3,6-Trifluorobenzyl alcohol114152-19-157 % similar 2-Chloro-6-fluorobenzenemethanol56456-50-957 % similar 2-Chloro-3,6-difluorophenol261762-50-948 % similar 2-Fluoro-6-(trifluoromethyl)benzyl alcohol152211-15-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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