5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile
Basic information
- CAS
5398-33-4- Standard SMILES
N#CCCCC(CCC#N)(CCCC#N)C(=O)c1ccc(Cl)cc1- InChIKey
AHIFSHNULBJNBV-UHFFFAOYSA-N- Molecular formula
- C19H20ClN3O
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 341.12949
Names & identifiers
- Preferred name
- 5-(4-Chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile
- IUPAC
- 5-(4-chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrile
Names & synonyms
5398-33-45-(4-chlorobenzoyl)-5-(2-cyanoethyl)nonanedinitrileNSC4459DTXSID10277842NSC-4459
Database identifiers
- CAS
5398-33-4- PubChem CID
- 220925
- DTXSID
DTXSID10277842
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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