Basic information
- CAS
17300-28-6- Standard SMILES
N#CC1(c2ccccc2)OC(C(=O)c2ccccc2)CC1Br- InChIKey
RABTWZKKSGXMPG-UHFFFAOYSA-N- Molecular formula
- C18H14BrNO2
- Average molar mass
- 356.2 g/mol
- Monoisotopic mass
- 355.02079
Names & identifiers
- Preferred name
- 5-Benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile
- IUPAC
- 5-benzoyl-3-bromo-2-phenyloxolane-2-carbonitrile
Names & synonyms
17300-28-6NSC38022NSC38021NSC-38021NSC-38022
Database identifiers
- CAS
17300-28-6- PubChem CID
- 236014
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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