Basic information
- CAS
64089-35-6- Standard SMILES
CC1(C)Cc2cc(C(=O)CCl)ccc2O1- InChIKey
URLYTFFMNQMJFP-UHFFFAOYSA-N- Molecular formula
- C12H13ClO2
- Average molar mass
- 224.68 g/mol
- Monoisotopic mass
- 224.0604073
Names & identifiers
- Preferred name
- 2-Chloro-1-(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one
- IUPAC
- 2-chloro-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)ethanone
Names & synonyms
64089-35-62-Chloro-1-(2,2-dimethyl-2,3-dihydrobenzofuran-5-yl)ethanoneDTXSID604953722-Chloro-1-(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-oneAKOS0116108392-Chloro-1-(2,2-dimethyl-2,3-dihydrobenzofuran-5-yl)ethan-1-one
Database identifiers
- CAS
64089-35-6- PubChem CID
- 12379535
- DTXSID
DTXSID60495372
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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