7-Amino-6-nitroquinazoline-2,4(1H,3H)-dione
Basic information
- CAS
70631-15-1- Standard SMILES
Nc1cc2[nH]c(=O)[nH]c(=O)c2cc1[N+](=O)[O-]- InChIKey
JZSAGEZYDMVIKN-UHFFFAOYSA-N- Molecular formula
- C8H6N4O4
- Average molar mass
- 222.16 g/mol
- Monoisotopic mass
- 222.03890469
Names & identifiers
- Preferred name
- 7-Amino-6-nitroquinazoline-2,4(1H,3H)-dione
- IUPAC
- 7-amino-6-nitro-1H-quinazoline-2,4-dione
Names & synonyms
7-Amino-6-nitroquinazoline-2,4(1H,3H)-dione70631-15-1DTXSID70326229RefChem:310281DTXCID702773437-amino-6-nitro-1,2,3,4-tetrahydroquinazoline-2,4-dioneNSC5256072,4(1H,3H)-Quinazolinedione, 7-amino-6-nitro-SCHEMBL5350366NSC-525607DS-003550
Database identifiers
- CAS
70631-15-1- PubChem CID
- 352269
- DTXSID
DTXSID70326229
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 352
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Related reactions
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Compound notes
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