Basic information
- CAS
101833-08-3- Standard SMILES
O=C1OCC(CCl)=C1c1ccccc1- InChIKey
AHXXHLIYVGJQHD-UHFFFAOYSA-N- Molecular formula
- C11H9ClO2
- Average molar mass
- 208.64 g/mol
- Monoisotopic mass
- 208.0291072
Names & identifiers
- Preferred name
- 2(5H)-Furanone, 4-chloromethyl-3-phenyl-
- IUPAC
- 3-(chloromethyl)-4-phenyl-2H-furan-5-one
Names & synonyms
4-Chloromethyl-3-phenyl-2(5H)-furanone101833-08-32(5H)-FURANONE, 4-CHLOROMETHYL-3-PHENYL-3-Chloromethyl-4-hydroxy-2-phenyl-2-butenoic acid gamma-lactoneDTXSID30144264RefChem:241790DTXCID40667554-(chloromethyl)-3-phenylfuran-2(5h)-one
Database identifiers
- CAS
101833-08-3- PubChem CID
- 59040
- DTXSID
DTXSID30144264- Nikkaji
- J75.483H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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