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

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
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

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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-Chloro-4-fluorobenzyl bromide192702-01-561 % similar 3-Chloro-4-fluorobenzylamine72235-56-461 % similar 3-Chloro-4-fluorophenylacetic acid705-79-357 % similar 3-Bromo-4-fluorobenzenemethanol77771-03-056 % similar 2-Chloro-6-fluorobenzenemethanol56456-50-953 % similar 4-Fluoro-3-(trifluoromethyl)benzyl alcohol67515-61-153 % 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-fluorobenzyl alcohol208186-84-9 2-Chloro-4-fluoro-1-methoxybenzene2267-25-6 3-Chloro-2-fluoroanisole261762-56-5 2-Chloro-5-fluorobenzenemethanol261762-59-8 1-Chloro-4-fluoro-2-methoxybenzene450-89-5 4-Chloro-2-fluoro-1-methoxybenzene452-09-5

Elsewhere

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