3-[5-(2,3-Dichlorophenyl)furan-2-yl]prop-2-enoic acid
Basic information
- CAS
463351-44-2- Standard SMILES
O=C(O)C=Cc1ccc(-c2cccc(Cl)c2Cl)o1- InChIKey
LZVUGMMUAUOFEN-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2O3
- Average molar mass
- 283.1 g/mol
- Monoisotopic mass
- 281.9850495
Names & identifiers
- Preferred name
- 3-[5-(2,3-Dichlorophenyl)furan-2-yl]prop-2-enoic acid
- IUPAC
- 3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoic acid
- English name
- 3-[5-(2,3-Dichloro-phenyl)-furan-2-yl]-acrylic acid
- Molecular formula
- C13H8Cl2O3
- Molecular weight
- 283.11
Names & synonyms
3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoic acidMFCD023445443-[5-(2,3-dichlorophenyl)-2-furyl]prop-2-enoic AcidDTXSID30354548AKOS030253903BB_SC-0847AKOS BB-8398ASISCHEM Y83607ZERENEX ZX008928CHEMBRDG-BB 58520053-[5-(2,3-dichlorophenyl)-2-furyl]acrylic acid(E)-3-[5-(2,3-dichlorophenyl)-2-furyl]acrylic acid
Show more names
(2E)-3-[5-(2,3-DICHLOROPHENYL)-2-FURYL]ACRYLIC ACID3-[5-(2,3-Dichloro-phenyl)-furan-2-yl]-acrylic acid
Database identifiers
- CAS
463351-44-2- PubChem CID
- 776102
- DTXSID
DTXSID30354548
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 431.057 · 431.057±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.246 · 4.246±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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