Basic information
- CAS
111189-54-9- Standard SMILES
Clc1c2ccccc2c2ccc3c(Br)ccc4ccc1c2c43- InChIKey
YLXYGPCFZBHMSQ-UHFFFAOYSA-N- Molecular formula
- C20H10BrCl
- Average molar mass
- 365.6 g/mol
- Monoisotopic mass
- 363.96544
Names & identifiers
- Preferred name
- 1-Bromo-6-chlorobenzo(a)pyrene
- IUPAC
- 1-bromo-6-chlorobenzo[a]pyrene
Names & synonyms
1-Bromo-6-chlorobenzo(a)pyrene111189-54-9DTXSID601495251-Bromo-6-chlorobenzo[pqr]tetraphene
Database identifiers
- CAS
111189-54-9- PubChem CID
- 183199
- DTXSID
DTXSID60149525
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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