chempirical

3-Chloro-4-fluorobenzyl alcohol

C7H6ClFOCAS 161446-90-8160.57 g/mol

Open in Covalent MOL file
HOClF
AlcoholAryl halide

Properties

Molecular formula
C7H6ClFO
Molar mass
160.57 g/mol
Exact mass
160.0091 Da
logP
1.97Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
161446-90-8
SMILES
C1=CC(=C(C=C1CO)Cl)F
InChIKey
KRQHBUXUXOPOON-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2

Weigh it out

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

Work with 3-Chloro-4-fluorobenzyl 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

3,4-Dichlorobenzenemethanol1805-32-964 % similar 3,4-Difluorobenzenemethanol85118-05-464 % similar 3-Bromo-4-fluorobenzenemethanol77771-03-056 % similar 2-Chloro-6-fluorobenzenemethanol56456-50-953 % similar 3-Chloro-4-fluorophenol2613-23-252 % similar (4-Fluoro-3-methoxyphenyl)methanol128495-45-451 % similar 2,4-Dichlorofluorobenzene1435-48-950 % similar 2-Chloro-1-fluoro-4-methylbenzene1513-25-348 % similar

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

Same formula

2-Chloro-1-fluoro-4-methoxybenzene202925-07-3 1-Chloro-3-fluoro-5-methoxybenzene202925-08-4 2-Chloro-4-fluoro-1-methoxybenzene2267-25-6 2-Chloro-5-fluorobenzenemethanol261762-59-8 1-Chloro-4-fluoro-2-methoxybenzene450-89-5 4-Chloro-2-fluoro-1-methoxybenzene452-09-5 1-Chloro-2-fluoro-4-methoxybenzene501-29-1 4-Chloro-2-fluorobenzenemethanol56456-49-6

Elsewhere

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