chempirical

3-Chloroanisole

C7H7ClOCAS 2845-89-8142.58 g/mol

Open in Covalent MOL file
OCl
Aryl halideEther

Properties

Molecular formula
C7H7ClO
Molar mass
142.58 g/mol
Exact mass
142.0185 Da
Melting point
below 25 °C
Boiling point
193.5 °C
logP
2.35Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
2845-89-8
SMILES
COc1cccc(Cl)c1
InChIKey
YUKILTJWFRTXGB-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-chloro-3-methoxy-
  • Anisole, m-chloro-
  • 1-Chloro-3-methoxybenzene
  • m-Chlorophenyl methyl ether
  • m-Chloroanisole
  • m-Chloromethoxybenzene
  • 3-Chloromethoxybenzene
  • 3-Methoxychlorobenzene
  • 3-Chloroanisol
  • 3-Methoxyphenyl chloride
  • 4-Chloro-2-methoxybenzene

Work with 3-Chloroanisole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dimethoxybenzene151-10-068 % similar 1,3-Dichloro-5-methoxybenzene33719-74-363 % similar 1-Chloro-3,5-dimethoxybenzene7051-16-363 % similar 3-Methylanisole100-84-556 % similar 3-Methoxybenzenethiol15570-12-456 % similar 1-Fluoro-3-methoxybenzene456-49-556 % similar 3-Methoxyphenol150-19-654 % similar 3-Bromoanisole2398-37-054 % similar

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

Same formula

4-Chloro-2-methylphenol1570-64-5 2-Chlorobenzyl alcohol17849-38-6 3-Chloro-2-methylphenol3260-87-5 5-Chloro-2-methylphenol5306-98-9 P-Chlorocresol59-50-7 3-Chloro-4-methylphenol615-62-3 2-Chloro-5-methylphenol615-74-7 4-Chloroanisole623-12-1

Elsewhere

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