Basic information
- CAS
17247-77-7- Standard SMILES
O=C1c2ccccc2NC(c2ccc([N+](=O)[O-])o2)N1O- InChIKey
RWBZRODEPHPWKY-UHFFFAOYSA-N- Molecular formula
- C12H9N3O5
- Average molar mass
- 275.22 g/mol
- Monoisotopic mass
- 275.0542204
Names & identifiers
- Preferred name
- 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide
- IUPAC
- 3-hydroxy-2-(5-nitrofuran-2-yl)-1,2-dihydroquinazolin-4-one
- English name
- 12DIHYDRO25NITROFURYL4HYDROXYCHINAZOLIN3OXIDE
- Molecular formula
- C12H9N3O5
- Molecular weight
- 275.21696
Names & synonyms
98754-77-93-Hydroxy-2-(5-nitrofuran-2-yl)-2,3-dihydroquinazolin-4(1H)-one4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide17247-77-71,2-Dihydro-2-(5-nitro-2-furyl)-3-hydroxyquinazolin-4-one3-hydroxy-2-(5-nitrofuran-2-yl)-1,2,3,4-tetrahydroquinazolin-4-oneA 33588BRN 10248291,2-Dihydro-2-(5'-nitrofuryl)-4-hydroxy-chinazolin-3-oxide1,2-Dihydro-2-(5'-nitrofuryl)-4-hydroxy-quinazoline-3-oxide3-hydroxy-2-(5-nitrofuran-2-yl)-1,2-dihydroquinazolin-4-one1,2-Dihydro-2-(5'-nitrofuryl)-4-hydroxy-chinazolin-3-oxid [German]
Show more names
4(1H)-Quinazolinone, 2,3-dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-NIOSH/VA3138500DTXSID309130981,2-Dihydro-2-(5'-nitrofuryl)-4-hydroxy-chinazolin-3-oxid2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4(1H)-quinazolinoneVA313850001,2-Dihydro-2-(5'-nitro-2'-furyl)-3-hydroxyquinazolin-4-one1,2-Dihydro-2-(5'-nitro-2'-furyl)-3-hydroxy-chinazolin-4-on
Database identifiers
- CAS
17247-77-7、98754-77-9- PubChem CID
- 64017
- DTXSID
DTXSID30913098
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Boiling point
- 418.17 °C · 418.17°C (rough estimate)
- Density
- 1.3877 · 1.3877 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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