2-Thiophenecarboxylic acid, 3-[(2,3,3-trichloro-1-oxo-2-propen-1-yl)amino]-
Basic information
- CAS
648858-96-2- Standard SMILES
O=C(Nc1ccsc1C(=O)O)C(Cl)=C(Cl)Cl- InChIKey
KGEXDTLUONMGRN-UHFFFAOYSA-N- Molecular formula
- C8H4Cl3NO3S
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 298.897747
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic acid, 3-[(2,3,3-trichloro-1-oxo-2-propen-1-yl)amino]-
- IUPAC
- 3-(2,3,3-trichloroprop-2-enoylamino)thiophene-2-carboxylic acid
Names & synonyms
648858-96-22-Thiophenecarboxylic acid, 3-[(2,3,3-trichloro-1-oxo-2-propen-1-yl)amino]-DTXSID4011463983-[(2,3,3-Trichloroprop-2-enoyl)amino]thiophene-2-carboxylic acid3-[(2,3,3-Trichloro-1-oxo-2-propen-1-yl)amino]-2-thiophenecarboxylic acid
Database identifiers
- CAS
648858-96-2- PubChem CID
- 2777445
- DTXSID
DTXSID401146398
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 343
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Compound notes
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