Basic information
- CAS
3639-67-6- Standard SMILES
CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C(Cl)Cl- InChIKey
OVHMDCNCGNYQQT-UHFFFAOYSA-N- Molecular formula
- C17H21Cl2NO
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 325.1000197
Names & identifiers
- Preferred name
- Win 21021
- IUPAC
- 10-(3,3-dichloroprop-2-enyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
- English name
- 3-(3,3-Dichloro-2-propenyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
- Molecular weight
- 0
Names & synonyms
3639-67-6WIN 21021RefChem:1101053WIN-210212,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3-(3,3-dichloro-2-propenyl)-6,11-dimethylDTXSID209577243-(3,3-Dichloro-2-propenyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol3-(3,3-dichloroprop-2-en-1-yl)-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
Database identifiers
- CAS
3639-67-6- PubChem CID
- 199026
- DTXSID
DTXSID20957724- Nikkaji
- J41.739D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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