Basic information
- CAS
22071-11-0- Standard SMILES
CCOC(=O)C(C(=O)OCC)=C(N)C(Cl)(Cl)Cl- InChIKey
OFQYNRPMURUIIV-UHFFFAOYSA-N- Molecular formula
- C9H12Cl3NO4
- Average molar mass
- 304.6 g/mol
- Monoisotopic mass
- 302.983191
Names & identifiers
- Preferred name
- Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonate
- IUPAC
- diethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioate
Names & synonyms
22071-11-0Diethyl 2-(1-amino-2,2,2-trichloroethylidene)malonateNSC 339491DTXSID50176562RefChem:337787DTXCID2099053NSC339491diethyl (1-amino-2,2,2-trichloroethylidene)propanedioatePropanedioic acid, (1-amino-2,2,2-trichloroethylidene)-, diethyl esterdiethyl 2-(1-amino-2,2,2-trichloroethylidene)propanedioateCBDivE_016277CCG-2545
Show more names
STK510427AKOS005455053NSC-339491SR-01000204755SR-01000204755-1diethyl (1-amino-2,2,2-trichloroethylidene)malonatediethyl 2-(1-amino-2,2,2-trichloro-ethylidene)propanedioate
Database identifiers
- CAS
22071-11-0- PubChem CID
- 334397
- DTXSID
DTXSID50176562
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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