Basic information
- CAS
16331-58-1- Standard SMILES
O=C(Cl)c1ccc2ccc3cccc4ccc1c2c34- InChIKey
FNRNHFMKSCPBDA-UHFFFAOYSA-N- Molecular formula
- C17H9ClO
- Average molar mass
- 264.7 g/mol
- Monoisotopic mass
- 264.0341926
Names & identifiers
- Preferred name
- 1-Pyrenecarbonyl chloride
- IUPAC
- pyrene-1-carbonyl chloride
Names & synonyms
16331-58-11-Pyrenecarbonyl chlorideDTXSID00443493RefChem:235118DTXCID40394314Pyrene-1-carbonyl Chloride1-pyrenoyl chlorideSCHEMBL3036869SCHEMBL31139592MFCD12025277AKOS025131618H54248
Database identifiers
- CAS
16331-58-1- PubChem CID
- 10683080
- DTXSID
DTXSID00443493- Nikkaji
- J1.059.627K
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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