Basic information
- CAS
6281-26-1- Standard SMILES
CC1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)O1- InChIKey
TUTQORSNAITDSX-WMZJFQQLSA-N- Molecular formula
- C9H9N3O5
- Average molar mass
- 239.18 g/mol
- Monoisotopic mass
- 239.0542204
Names & identifiers
- Preferred name
- 2-Oxazolidinone, 5-methyl-3-[(5-nitrofurfurylidene)amino]-
- IUPAC
- 5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
- English name
- Furmethoxadon
- Molecular formula
- C9H9N3O5
- Molecular weight
- 239.19
Names & synonyms
5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-oneNSC64792-Oxazolidinone, 5-methyl-3-[(5-nitrofurfurylidene)amino]-FurmethoxadonFurmethoxadone2-Oxazolidinone, 5-methyl-3-[[(5-nitro-2-furanyl)methylene]amino]-
Database identifiers
- CAS
6281-26-1- PubChem CID
- 5879804
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 255 · 255-256 °C
- Boiling point
- 353.968 · 353.968±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.586 · 1.586±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.934 · -1.934±0.40(predicted)
- FDA UNII
- 31553 PPJU · G31553PPJU
Chemistry & industry
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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