Basic information
- CAS
198077-70-2- Standard SMILES
O=C(O)C=CC(=O)Nc1ccc(F)cc1F- InChIKey
DVBSHLGHHLTWPZ-UHFFFAOYSA-N- Molecular formula
- C10H7F2NO3
- Average molar mass
- 227.16 g/mol
- Monoisotopic mass
- 227.03939941
Names & identifiers
- Preferred name
- 4-((2,4-Difluorophenyl)amino)-4-oxo-2-butenoic acid
- IUPAC
- 4-(2,4-difluoroanilino)-4-oxobut-2-enoic acid
- English name
- 4-(2,4-Difluoroanilino)-4-oxobut-2-enoic acid
- Molecular formula
- C10H7F2NO3
- Molecular weight
- 227.16
Names & synonyms
198077-70-24-[(2,4-difluorophenyl)amino]-4-oxo-2-butenoic acid4-((2,4-Difluorophenyl)amino)-4-oxo-2-butenoic acidRefChem:2862924-(2,4-difluoroanilino)-4-oxobut-2-enoic acid3-[(2,4-difluorophenyl)carbamoyl]prop-2-enoic acid4-((2,4-Difluorophenyl)amino)-4-oxobut-2-enoic acidCBMicro_017751NCIOpen2_003219SCHEMBL6895438DTXSID301223555AKOS030253572
Show more names
2-Butenoic acid, 4-[(2,4-difluorophenyl)amino]-4-oxo-
FD94837DB-2937494-(2,4-difluoroanilino)-4-oxo-2-butenoic acid4-(2,4-difluoroanilino)-4-oxo-but-2-enoic acid(2E)-4-[(2,4-Difluorophenyl)Amino]-4-Oxo-2-Butenoic Acid
Database identifiers
- CAS
198077-70-2- PubChem CID
- 249405
- DTXSID
DTXSID301223555- EC Number
- 677-000-8
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 415.9 · 415.9±45.0 °C(Predicted)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- pka
- 3.39 · 3.39±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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