Basic information
- CAS
80124-65-8- Standard SMILES
O[C@H]1c2c(ccc3c2ccc2ccccc23)CC[C@@H]1Br- InChIKey
VZFRPVWDMXOWNC-FUHWJXTLSA-N- Molecular formula
- C18H15BrO
- Average molar mass
- 327.2 g/mol
- Monoisotopic mass
- 326.03063
Names & identifiers
- Preferred name
- 4-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans-
- IUPAC
- (3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-ol
Names & synonyms
80433-98-34-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, trans-80124-65-84-Chrysenol, 3-bromo-1,2,3,4-tetrahydro-, (3S-trans)-
Database identifiers
- CAS
80124-65-8、80433-98-3- PubChem CID
- 187235
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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