Basic information
- CAS
89619-80-7- Standard SMILES
C=CC(NC(=O)C(Cl)(Cl)Cl)C(=O)O- InChIKey
CLBNBIPMQNSLLX-UHFFFAOYSA-N- Molecular formula
- C6H6Cl3NO3
- Average molar mass
- 246.5 g/mol
- Monoisotopic mass
- 244.941326
Names & identifiers
- Preferred name
- 3-Butenoic acid, 2-[(trichloroacetyl)amino]-
- IUPAC
- 2-[(2,2,2-trichloroacetyl)amino]but-3-enoic acid
Names & synonyms
89619-80-73-Butenoic acid, 2-[(trichloroacetyl)amino]-NSC343697SCHEMBL10633615DTXSID10319317NSC-3436972-(2,2,2-trichloroethanoylamino)but-3-enoic acid2-[(2,2,2-trichloro-acetyl)amino]-but-3-enoic acid2-(2,2,2-TRICHLOROACETAMIDO)BUT-3-ENOIC ACID
Database identifiers
- CAS
89619-80-7- PubChem CID
- 335244
- DTXSID
DTXSID10319317
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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