3-[(3,5-Dichlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Basic information
- CAS
5852-56-2- Standard SMILES
CC1(C)CC(=O)C=C(Nc2cc(Cl)cc(Cl)c2)C1- InChIKey
QPDHSSRWWRORRC-UHFFFAOYSA-N- Molecular formula
- C14H15Cl2NO
- Average molar mass
- 284.2 g/mol
- Monoisotopic mass
- 283.0530695
Names & identifiers
- Preferred name
- 3-[(3,5-Dichlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
- IUPAC
- 3-(3,5-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one
Names & synonyms
3-[(3,5-dichlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-oneSTK0070285852-56-23-(3,5-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-oneDTXSID20411255AKOS005375626
Database identifiers
- CAS
5852-56-2- PubChem CID
- 5223638
- DTXSID
DTXSID20411255
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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