chempirical

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

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

2,6-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 2,4,6-Trifluorobenzyl alcohol118289-07-943 % similar 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-243 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-342 % similar

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

Elsewhere

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