Basic information
- Standard SMILES
CCC(=O)C(C#N)Cc1cccc(Cl)c1Cl- InChIKey
QXCNSNJUTOTZEN-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2NO
- Average molar mass
- 256.12 g/mol
- Monoisotopic mass
- 255.0217694
Names & identifiers
- Preferred name
- 2-(2,3-Dichlorobenzyl)-3-oxopentanenitrile
- IUPAC
- 2-[(2,3-dichlorophenyl)methyl]-3-oxopentanenitrile
Names & synonyms
2-(2,3-dichlorobenzyl)-3-oxopentanenitrileSCHEMBL14720213QXCNSNJUTOTZEN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 71270789
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Related reactions
2 records
Compound notes
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