Basic information
- CAS
4340-42-5- Standard SMILES
O=C=NC(=O)c1ccco1- InChIKey
QMMZKDAXYSETFV-UHFFFAOYSA-N- Molecular formula
- C6H3NO3
- Average molar mass
- 137.09 g/mol
- Monoisotopic mass
- 137.01129296
Names & identifiers
- Preferred name
- 2-Furancarbonylisocyanate
- IUPAC
- furan-2-carbonyl isocyanate
- English name
- 2-Furancarbonyl isocyanate
- Molecular formula
- C6H3NO3
- Molecular weight
- 0
Names & synonyms
2-Furancarbonylisocyanate4340-42-5DTXSID50454897RefChem:261222DTXCID80405716FURAN-2-CARBONYL ISOCYANATE2-furoyl isocyanatefuranic isocyanate2-furoylisocyanateSCHEMBL6161859QMMZKDAXYSETFV-UHFFFAOYSA-NAKOS022299868
Show more names
2-Furancarbonyl isocyanate2-Furancarbonylisocyanate(9CI)
Database identifiers
- CAS
4340-42-5- PubChem CID
- 11094682
- DTXSID
DTXSID50454897- Nikkaji
- J1.250.999E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 183
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
3 records
Compound notes
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