4-Chloro-2-fluoro-1-methoxybenzene

C7H6ClFOCAS 452-09-5160.57 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
Boiling point
102–103 °C (at 48 Torr)
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 39 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
452-09-5
SMILES
COc1ccc(Cl)cc1F
InChIKey
QIUCVZDNIUACJN-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 4-chloro-2-fluoro-1-methoxy-
  • Anisole, 4-chloro-2-fluoro-
  • 4-Chloro-2-fluoroanisole
  • NSC 10330
  • 1-Chloro-3-fluoro-4-methoxybenzene

Work with 4-Chloro-2-fluoro-1-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

2,4-Difluoroanisole452-10-860 % similar 2,4-Dichloroanisole553-82-260 % similar 2-Fluoro-1,4-dimethoxybenzene82830-49-760 % similar 4-Chloro-1,2-difluorobenzene696-02-659 % similar 4-Chloro-1-methoxy-2-methylbenzene3260-85-358 % similar 2-Fluoro-4-methylanisole399-55-358 % similar 5-Chloro-2-methoxyaniline95-03-458 % similar 4-Bromo-2-fluoroanisole2357-52-056 % 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 3-Chloro-2-fluoroanisole261762-56-5 2-Chloro-5-fluorobenzenemethanol261762-59-8 1-Chloro-4-fluoro-2-methoxybenzene450-89-5

Elsewhere

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