Basic information
- CAS
418782-50-0- Standard SMILES
COc1ccc(C=CC(=O)CC(=O)C(Cl)(Cl)Cl)cc1- InChIKey
RBDDNTZMXDPVFL-UHFFFAOYSA-N- Molecular formula
- C13H11Cl3O3
- Average molar mass
- 321.6 g/mol
- Monoisotopic mass
- 319.977377
Names & identifiers
- Preferred name
- 1,1,1-Trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione
- IUPAC
- 1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione
Names & synonyms
CBMicro_0063811,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dioneDTXSID601208790418782-50-0
Database identifiers
- CAS
418782-50-0- PubChem CID
- 2852307
- DTXSID
DTXSID601208790
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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