(E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione
Basic information
- CAS
5555-86-2- Standard SMILES
COc1ccc(/C=C/C(=O)CC(=O)C(Cl)(Cl)Cl)cc1- InChIKey
RBDDNTZMXDPVFL-GORDUTHDSA-N- Molecular formula
- C13H11Cl3O3
- Average molar mass
- 321.6 g/mol
- Monoisotopic mass
- 319.977377
Names & identifiers
- Preferred name
- (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione
- IUPAC
- (E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione
Names & synonyms
5555-86-2(E)-1,1,1-trichloro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione1,1,1-Trichloro-6-(4-methoxyphenyl)-5-hexene-2,4-dioneAC1NSWEPDTXSID40416944SMSF0006146CB08628BIM-0006247.P001SR-01000213001SR-01000213001-1(5E)-1,1,1-TRICHLORO-6-(4-METHOXYPHENYL)HEX-5-ENE-2,4-DIONE
Database identifiers
- CAS
5555-86-2- PubChem CID
- 5340765
- DTXSID
DTXSID40416944
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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