3-(5-Nitro-2-thienyl)-2-(2-furyl)acrylamide
Basic information
- CAS
22168-29-2- Standard SMILES
NC(=O)/C(=C\c1ccc([N+](=O)[O-])s1)c1ccco1- InChIKey
RSDIFHHPJOVEDV-VURMDHGXSA-N- Molecular formula
- C11H8N2O4S
- Average molar mass
- 264.26 g/mol
- Monoisotopic mass
- 264.02047791
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-(5-Nitro-2-thienyl)-2-(2-furyl)acrylamide
- IUPAC
- (Z)-2-(furan-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
- English name
- 3-(5-nitro-2-thienyl)-2-(2-furyl)acrylamide
- Molecular formula
- C11H8N2O4S
- Molecular weight
- 264.26
Names & synonyms
NTFAC3-(5-Nitro-2-thienyl)-2-(2-furyl)acrylamide22168-29-22-Furanacetamide, alpha-((5-nitro-2-thienyl)methylene)-, (Z)-RefChem:92511SCHEMBL30306284
Database identifiers
- CAS
22168-29-2- PubChem CID
- 6440967
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 496.213 · 496.213±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.489 · 1.489±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.368 · 14.368±0.50(predicted)
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Compound notes
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