Basic information
- CAS
886496-35-1- Standard SMILES
CCOC(=O)C=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1- InChIKey
RIKGYMHBYLLACQ-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO5
- Average molar mass
- 321.71 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]prop-2-enoate
- IUPAC
- ethyl 3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]prop-2-enoate
- English name
- 3-[5-(4-Chloro-3-nitro-phenyl)-furan-2-yl]-acrylic acid ethyl ester
- Molecular formula
- C15H12ClNO5
- Molecular weight
- 321.71
Names & synonyms
3-[5-(4-Chloro-3-nitro-phenyl)-furan-2-yl]-acrylic acid ethyl ester2-Propenoic acid, 3-[5-(4-chloro-3-nitrophenyl)-2-furanyl]-, ethyl ester
Database identifiers
- CAS
886496-35-1
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Boiling point
- 465.1 · 465.1±45.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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