Ethyl 3-butylimino-2,2-dichloro-propanoate
Basic information
- CAS
7598-59-6- Standard SMILES
CCCCN=CC(Cl)(Cl)C(=O)OCC- InChIKey
XMRKEKYCPSNAPK-UHFFFAOYSA-N- Molecular formula
- C9H15Cl2NO2
- Average molar mass
- 240.12 g/mol
- Monoisotopic mass
- 239.0479841
Names & identifiers
- Preferred name
- Ethyl 3-butylimino-2,2-dichloro-propanoate
- IUPAC
- ethyl 3-butylimino-2,2-dichloropropanoate
Names & synonyms
7598-59-6ETHYL 3-BUTYLIMINO-2,2-DICHLORO-PROPANOATENSC407842DTXSID90324848NSC-407842Ethyl (3E)-3-(butylimino)-2,2-dichloropropanoate
Database identifiers
- CAS
7598-59-6- PubChem CID
- 348500
- DTXSID
DTXSID90324848
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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