Basic information
- CAS
921932-12-9- Standard SMILES
COc1cc2ccc3c(Br)cccc3c2c(OC)c1OC- InChIKey
TXCUNNNBXYSUTQ-UHFFFAOYSA-N- Molecular formula
- C17H15BrO3
- Average molar mass
- 347.2 g/mol
- Monoisotopic mass
- 346.02046
Names & identifiers
- Preferred name
- 1-Bromo-5,6,7-trimethoxyphenanthrene
- IUPAC
- 1-bromo-5,6,7-trimethoxyphenanthrene
Names & synonyms
1-BROMO-5,6,7-TRIMETHOXYPHENANTHRENE921932-12-9DTXSID10841007RefChem:228636DTXCID00791749
Database identifiers
- CAS
921932-12-9- PubChem CID
- 71421963
- DTXSID
DTXSID10841007
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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