Basic information
- Standard SMILES
BrCc1cc2c3ccccc3ccc2c2ccccc12- InChIKey
YHLYWVCMCBEVSR-UHFFFAOYSA-N- Molecular formula
- C19H13Br
- Average molar mass
- 321.2 g/mol
- Monoisotopic mass
- 320.02006
Names & identifiers
- Preferred name
- 6-Bromomethylchrysene
- IUPAC
- 6-(bromomethyl)chrysene
Names & synonyms
6-bromomethylchryseneSCHEMBL8674350YHLYWVCMCBEVSR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 10936133
- Nikkaji
- J878.924J
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Related reactions
4 records
Compound notes
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