chempirical

3-Chloro-2-fluoroanisole

C7H6ClFOCAS 261762-56-5160.57 g/mol

Open in Covalent MOL file
OClF
Aryl halideEther

Properties

Molecular formula
C7H6ClFO
Molar mass
160.57 g/mol
Exact mass
160.0091 Da
logP
2.49Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
261762-56-5
SMILES
COC1=C(C(=CC=C1)Cl)F
InChIKey
CVFVXCYDOOGQCJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClFO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3

Weigh it out

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Work with 3-Chloro-2-fluoroanisole

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-Chloroanisole766-51-863 % similar 1,2-Difluoro-3-methoxybenzene134364-69-562 % similar 1-Bromo-2-fluoro-3-methoxybenzene295376-21-560 % similar 2,3-Dichloroanisole1984-59-459 % similar 1-Chloro-3-methoxy-2-methylbenzene3260-88-657 % similar 1,3-Dichloro-2-fluorobenzene2268-05-556 % similar 2-Fluoro-3-methoxybenzaldehyde103438-88-653 % similar 2-Fluoro-3-methoxyphenylboronic acid352303-67-453 % similar

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

Same formula

3-Chloro-4-fluorobenzyl alcohol161446-90-8 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 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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