2,3-Dihydro-2-(5-nitro-2-furyl)-4(1H)-quinazolinone

HCID 175807

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Basic information

CAS: 98754-79-1
Standard SMILES: O=C1NC(c2ccc([N+](=O)[O-])o2)Nc2ccccc21
InChIKey: QERVPOJJEHSVGK-UHFFFAOYSA-N
Molecular formula: C12H9N3O4
Average molar mass: 259.22 g/mol
Monoisotopic mass: 259.05930578

Names & identifiers

Preferred name: 2,3-Dihydro-2-(5-nitro-2-furyl)-4(1H)-quinazolinone
IUPAC: 2-(5-nitrofuran-2-yl)-2,3-dihydro-1H-quinazolin-4-one

Names & synonyms

98754-79-1NIOSH/VA32350002,3-Dihydro-2-(5-nitro-2-furyl)-4(1H)-quinazolinoneVA323500001,2-Dihydro-2-(5'-nitro-2'-furyl)quinazolin-4-one4(1H)-Quinazolinone, 2,3-dihydro-2-(5-nitro-2-furyl)-Oprea1_0616612,3-Dihydro-2-(5-nitro-2-furanyl)-4(1H)-quinazolinoneDTXSID109130964(1H)-Quinazolinone, 2,3-dihydro-2-(5-nitro-2-furanyl)-2-(5-Nitrofuran-2-yl)-1,2-dihydroquinazolin-4-ol

Database identifiers

CAS: 98754-79-1
PubChem CID: 175807
DTXSID: DTXSID10913096

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 100 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 384

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