1-Chloro-3-fluoro-5-methoxybenzene

C₇H₆ClFOCAS 202925-08-4160.57 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₆ClFO
Molar mass: 160.57 g/mol
Exact mass: 160.0091 Da
logP: 2.49Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 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

202925-08-4

SMILES

COc1cc(F)cc(Cl)c1

InChIKey

XPZBNEWAZPZUHF-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

Weigh it out

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

Names and synonyms

2 names

Benzene, 1-chloro-3-fluoro-5-methoxy-
3-Chloro-5-fluoroanisole

Work with 1-Chloro-3-fluoro-5-methoxybenzene

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

1,3-Dichloro-5-methoxybenzene33719-74-368 % similar 1-Fluoro-3,5-dimethoxybenzene52189-63-668 % similar 1-Chloro-3,5-dimethoxybenzene7051-16-368 % similar 1,3-Difluoro-5-methoxybenzene93343-10-368 % similar 3,5-Difluorochlorobenzene1435-43-456 % similar 1,3-Dichloro-5-fluorobenzene1435-46-756 % similar 1-Fluoro-3-methoxybenzene456-49-555 % similar 3-Fluoro-5-methoxyaniline2339-58-455 % 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 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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