Basic information
- CAS
5439-34-9- Standard SMILES
CCCCCCCNC(=O)C(Cl)Cl- InChIKey
OPOWREBDOCAJDQ-UHFFFAOYSA-N- Molecular formula
- C9H17Cl2NO
- Average molar mass
- 226.14 g/mol
- Monoisotopic mass
- 225.0687196
Names & identifiers
- Preferred name
- 2,2-Dichloro-N-heptylethanimidic acid
- IUPAC
- 2,2-dichloro-N-heptylacetamide
Names & synonyms
5439-34-9NSC150982,2-Dichloro-N-heptylethanimidic acidDichloro-N-heptylethanimidic acidDTXSID80969505NSC-15098AKOS003847809
Database identifiers
- CAS
5439-34-9- PubChem CID
- 225549
- DTXSID
DTXSID80969505
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…