1-Chloro-4-fluoro-2-methoxybenzene

C7H6ClFOCAS 450-89-5160.57 g/mol

Open in Covalent MOL file
OFCl
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 the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
450-89-5
SMILES
COc1cc(F)ccc1Cl
InChIKey
ULVPJKKERHMKLS-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClFO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1-chloro-4-fluoro-2-methoxy-
  • Anisole, 6-chloro-3-fluoro-
  • 2-Chloro-5-fluoroanisole

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

4-Fluoro-1,2-dimethoxybenzene398-62-964 % similar 1,4-Dichloro-2-methoxybenzene1984-58-360 % similar 2,4-Difluoroanisole452-10-860 % similar 1-Chloro-2,4-dimethoxybenzene7051-13-060 % similar 1,4-Difluoro-2-methoxybenzene75626-17-460 % similar 4-Fluoro-2-methoxyaniline450-91-958 % similar 1-Chloro-4-fluoro-2-methylbenzene33406-96-157 % similar 4-Chloro-3-methoxyaniline13726-14-256 % 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 4-Chloro-2-fluoro-1-methoxybenzene452-09-5

Elsewhere

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