chempirical

1-Chloro-3-fluoro-5-methoxybenzene

C7H6ClFOCAS 202925-08-4160.57 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

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 1,3-Dichloro-5-fluorobenzene1435-46-756 % similar 1-Fluoro-3-methoxybenzene456-49-555 % similar 3-Chloro-5-methoxyphenol65262-96-655 % similar 3-Chloroanisole2845-89-850 % similar

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

Same formula

2-Chloro-1-fluoro-4-methoxybenzene202925-07-3 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 1-Chloro-2-fluoro-4-methoxybenzene501-29-1 4-Chloro-2-fluorobenzenemethanol56456-49-6 2-Chloro-6-fluorobenzenemethanol56456-50-9

Elsewhere

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