Basic information
- CAS
105708-70-1- Standard SMILES
BrCCc1c2ccccc2c2ccc3cccc4ccc1c2c43- InChIKey
OYOMITWRLFMVGA-UHFFFAOYSA-N- Molecular formula
- C22H15Br
- Average molar mass
- 359.3 g/mol
- Monoisotopic mass
- 358.03571
Names & identifiers
- Preferred name
- 6-(2-Bromoethyl)benzo(a)pyrene
- IUPAC
- 6-(2-bromoethyl)benzo[a]pyrene
Names & synonyms
6-(2-Bromoethyl)benzo(a)pyreneBenzo(a)pyrene, 6-(2-bromoethyl)-105708-70-1DTXSID001472626-(2-Bromoethyl)benzo[pqr]tetraphene
Database identifiers
- CAS
105708-70-1- PubChem CID
- 149702
- DTXSID
DTXSID00147262
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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