chempirical

1-Chloro-2-fluoro-4-methoxybenzene

C7H6ClFOCAS 501-29-1160.57 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

Identifiers

CAS number
501-29-1
SMILES
COc1ccc(Cl)c(F)c1
InChIKey
FAVMSTGWFRDCRR-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClFO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3

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

Names and synonyms

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

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

1,2-Difluoro-4-methoxybenzene115144-40-664 % similar 1,2-Dichloro-4-methoxybenzene36404-30-564 % similar 1-Chloro-4-methoxy-2-methylbenzene13334-71-960 % similar 2-Fluoro-1,4-dimethoxybenzene82830-49-760 % similar 2-Chloro-5-methoxybenzenamine2401-24-358 % similar 2-Fluoro-4-methoxyphenol167683-93-456 % similar 2-Chloro-5-methoxyphenol18113-04-756 % similar 3-Bromo-4-chloroanisole2732-80-156 % 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-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 4-Chloro-2-fluorobenzenemethanol56456-49-6 2-Chloro-6-fluorobenzenemethanol56456-50-9

Elsewhere

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