Benzo(a)pyrene, 1-(chloromethyl)-
Basic information
- CAS
100757-60-6- Standard SMILES
ClCc1ccc2ccc3cc4ccccc4c4ccc1c2c34- InChIKey
WWTKOCFTVBUGIJ-UHFFFAOYSA-N- Molecular formula
- C21H13Cl
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 300.0705781
Names & identifiers
- Preferred name
- Benzo(a)pyrene, 1-(chloromethyl)-
- IUPAC
- 1-(chloromethyl)benzo[a]pyrene
Names & synonyms
Benzo(a)pyrene, 1-(chloromethyl)-CCRIS 25201-Chloromethylbenzo(a)pyrene100757-60-6DTXSID801435001-CHLOROMETHYLBENZO[A]PYRENERefChem:326085DTXCID4065991chloromethyl-benzo(a)pyrene1-(chloromethyl)benzo[pqr]tetraphene
Database identifiers
- CAS
100757-60-6- PubChem CID
- 150550
- DTXSID
DTXSID80143500
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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