2-Propenoic acid, 3-[5-(4-bromophenyl)-2-furanyl]-, (E)-
Basic information
- CAS
62806-35-3- Standard SMILES
O=C(O)C=Cc1ccc(-c2ccc(Br)cc2)o1- InChIKey
UWJPYZVCZQFJDI-UHFFFAOYSA-N- Molecular formula
- C13H9BrO3
- Average molar mass
- 293.11 g/mol
- Monoisotopic mass
- 291.97351
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-[5-(4-bromophenyl)-2-furanyl]-, (E)-
- IUPAC
- 3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoic acid
- English name
- 2-Propenoic acid, 3-[5-(4-bromophenyl)-2-furanyl]-, (2E)-
- Molecular formula
- C13H9BrO3
- Molecular weight
- 293.11
Names & synonyms
2-Propenoic acid, 3-[5-(4-bromophenyl)-2-furanyl]-, (E)-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoic acidChemDiv3_001300CBDivE_001286DTXSID50353553MCA80635AKOS030230054(2E)-3-[5-(4-Bromophenyl)furan-2-yl]prop-2-enoic acid2-Propenoic acid, 3-[5-(4-bromophenyl)-2-furanyl]-, (2E)-
Database identifiers
- CAS
62806-35-3- PubChem CID
- 744895
- DTXSID
DTXSID50353553
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 198 · 198-199 °C(Solv: benzene (71-43-2))
- Boiling point
- 436.8 · 436.8±40.0 °C(Predicted)
- Density
- 1.548 · 1.548±0.06 g/cm3(Predicted)
- pka
- 4.28 · 4.28±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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