Benzo(a)pyrene, 10-(chloromethyl)-
Basic information
- CAS
86803-19-2- Standard SMILES
ClCc1cccc2cc3ccc4cccc5ccc(c12)c3c45- InChIKey
PNZXMMLNLREHOK-UHFFFAOYSA-N- Molecular formula
- C21H13Cl
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 300.0705781
Names & identifiers
- Preferred name
- Benzo(a)pyrene, 10-(chloromethyl)-
- IUPAC
- 10-(chloromethyl)benzo[a]pyrene
Names & synonyms
CCRIS 252410-Chloromethylbenzo(a)pyreneBENZO(a)PYRENE, 10-(CHLOROMETHYL)-BRN 446737786803-19-2DTXSID8023581810-CHLOROMETHYLBENZO[A]PYRENERefChem:326086DTXCID1015830910-(chloromethyl)benzo[pqr]tetraphene
Database identifiers
- CAS
86803-19-2- PubChem CID
- 55561
- DTXSID
DTXSID80235818
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
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Compound notes
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