Basic information
- CAS
844891-16-3- Standard SMILES
O=C(O)C=Cc1ccc(-c2ccc(F)cc2F)o1- InChIKey
PUFRUEMJSQVGSX-UHFFFAOYSA-N- Molecular formula
- C13H8F2O3
- Average molar mass
- 250.2 g/mol
- Monoisotopic mass
- 250.04415044
Names & identifiers
- Preferred name
- 3-[5-(2,4-Difluorophenyl)-2-furyl]acrylic acid
- IUPAC
- 3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoic acid
- English name
- 3-[5-(2,4-Difluorophenyl)-2-furyl]acrylic acid
- Molecular formula
- C13H8F2O3
- Molecular weight
- 250.2
Names & synonyms
3-[5-(2,4-difluorophenyl)-2-furyl]acrylic acid844891-16-33-[5-(2,4-DIFLUOROPHENYL)FURAN-2-YL]PROP-2-ENOIC ACID2-Propenoic acid,3-[5-(2,4-difluorophenyl)-2-furanyl]-DTXSID20384430DB-0760472-Propenoic acid, 3-[5-(2,4-difluorophenyl)-2-furanyl]-
Database identifiers
- CAS
844891-16-3- PubChem CID
- 2804606
- DTXSID
DTXSID20384430
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 218 °C · 218 °C
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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