3,3-Dichloro-2-(3-phenoxyphenyl)prop-2-enenitrile
Basic information
- CAS
110457-97-1- Standard SMILES
N#CC(=C(Cl)Cl)c1cccc(Oc2ccccc2)c1- InChIKey
QUSOURBRLINNNM-UHFFFAOYSA-N- Molecular formula
- C15H9Cl2NO
- Average molar mass
- 290.1 g/mol
- Monoisotopic mass
- 289.0061193
Names & identifiers
- Preferred name
- 3,3-Dichloro-2-(3-phenoxyphenyl)prop-2-enenitrile
- IUPAC
- 3,3-dichloro-2-(3-phenoxyphenyl)prop-2-enenitrile
Names & synonyms
110457-97-1Benzeneacetonitrile, alpha-(dichloromethylene)-3-phenoxy-3,3-dichloro-2-(3-phenoxyphenyl)prop-2-enenitrileDTXSID90149250
Database identifiers
- CAS
110457-97-1- PubChem CID
- 184205
- DTXSID
DTXSID90149250
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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