Basic information
- CAS
21863-85-4- Standard SMILES
CC1(C)OC(=O)C(C#N)C1c1ccc(Cl)cc1- InChIKey
LZFLUYJCMQZCNZ-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO2
- Average molar mass
- 249.69 g/mol
- Monoisotopic mass
- 249.0556563
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-5,5-dimethyl-2-oxotetrahydrofuran-3-carbonitrile
- IUPAC
- 4-(4-chlorophenyl)-5,5-dimethyl-2-oxooxolane-3-carbonitrile
Names & synonyms
4-(4-chlorophenyl)-5,5-dimethyl-2-oxotetrahydrofuran-3-carbonitrile21863-85-4DTXSID40296763RefChem:287958DTXCID702479004-(4-chlorophenyl)-5,5-dimethyl-2-oxooxolane-3-carbonitrileNSC111317NSC-111317
Database identifiers
- CAS
21863-85-4- PubChem CID
- 269809
- DTXSID
DTXSID40296763
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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