Basic information
- CAS
89619-79-4- Standard SMILES
C=CC(COC(=O)C(Cl)(Cl)Cl)NC(=O)C(Cl)(Cl)Cl- InChIKey
GBEZKWDSIBBMNI-UHFFFAOYSA-N- Molecular formula
- C8H7Cl6NO3
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 374.855709
Names & identifiers
- Preferred name
- Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl ester
- IUPAC
- 2-[(2,2,2-trichloroacetyl)amino]but-3-enyl 2,2,2-trichloroacetate
Names & synonyms
89619-79-4Acetic acid, trichloro-, 2-[(trichloroacetyl)amino]-3-butenyl esterNSC343696DTXSID50319316NSC-3436962-(2,2,2-Trichloroacetamido)but-3-en-1-yl trichloroacetate
Database identifiers
- CAS
89619-79-4- PubChem CID
- 335243
- DTXSID
DTXSID50319316
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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