Basic information
- CAS
1057670-21-9- Standard SMILES
C#Cc1ccc(I)o1- InChIKey
ATCTYWITDPFQKB-UHFFFAOYSA-N- Molecular formula
- C6H3IO
- Average molar mass
- 217.99 g/mol
- Monoisotopic mass
- 217.92286
Names & identifiers
- Preferred name
- 2-Ethynyl-5-iodofuran
- IUPAC
- 2-ethynyl-5-iodofuran
- English name
- 2-ETHYNYL-5-IODO-FURAN
- Molecular formula
- C6H3IO
- Molecular weight
- 217.99
Names & synonyms
2-ETHYNYL-5-IODO-FURANFuran, 2-ethynyl-5-iodo-
Database identifiers
- CAS
1057670-21-9- PubChem CID
- 53434230
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 220.412 · 220.412±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.996 · 1.996±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…