2-Propanone, 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)-
Basic information
- CAS
75315-56-9- Standard SMILES
COc1c(Cl)c(CC(C)=O)c(Cl)c(OC)c1OC- InChIKey
HZHIKRHHOYWDMI-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2O4
- Average molar mass
- 293.14 g/mol
- Monoisotopic mass
- 292.0269143
Names & identifiers
- Preferred name
- 2-Propanone, 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)-
- IUPAC
- 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-one
Names & synonyms
2-Propanone, 1-(2,6-dichloro-3,4,5-trimethoxyphenyl)-75315-56-91-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-oneDTXSID70226275
Database identifiers
- CAS
75315-56-9- PubChem CID
- 53226
- DTXSID
DTXSID70226275- Nikkaji
- J1.590.991I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
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Compound notes
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