Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)-
Basic information
- CAS
91422-98-9- Standard SMILES
O[C@H]1c2c(ccc3cc4ccccc4cc23)CC[C@@H]1Br- InChIKey
ZEORQQOXSYTPAN-FUHWJXTLSA-N- Molecular formula
- C18H15BrO
- Average molar mass
- 327.2 g/mol
- Monoisotopic mass
- 326.03063
Names & identifiers
- Preferred name
- Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)-
- IUPAC
- (1S,2S)-2-bromo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-ol
Names & synonyms
91422-98-9Benz(a)anthracen-1-ol, 2-bromo-1,2,3,4-tetrahydro-, (1S-trans)-(1S,2S)-2-bromo-1,2,3,4-tetrahydrotetraphen-1-olDTXSID809197472-Bromo-1,2,3,4-tetrahydrotetraphen-1-ol
Database identifiers
- CAS
91422-98-9- PubChem CID
- 190145
- DTXSID
DTXSID80919747
Properties
Computed structural properties
- XLogP
- 4.5
- 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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