Basic information
- CAS
51469-51-3- Standard SMILES
CCCCCCC(=O)/C=C/c1c(Cl)cccc1Cl- InChIKey
GKKMIUKJDMJAJD-ZHACJKMWSA-N- Molecular formula
- C15H18Cl2O
- Average molar mass
- 285.2 g/mol
- Monoisotopic mass
- 284.0734706
Names & identifiers
- Preferred name
- 1-Nonen-3-one, 1-(2,6-dichlorophenyl)-
- IUPAC
- (E)-1-(2,6-dichlorophenyl)non-1-en-3-one
Names & synonyms
1-Nonen-3-one, 1-(2,6-dichlorophenyl)-NSC14078451469-51-3GKKMIUKJDMJAJD-ZHACJKMWSA-NNSC-140784(1E)-1-(2,6-Dichlorophenyl)-1-nonen-3-one #
Database identifiers
- CAS
51469-51-3- PubChem CID
- 5377211
- Nikkaji
- J109.883G
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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