7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione
Basic information
- CAS
76822-66-7- Standard SMILES
O=c1[nH]c(=O)c2cc([N+](=O)[O-])c(Cl)cc2[nH]1- InChIKey
ZOCGHLGJCUHECJ-UHFFFAOYSA-N- Molecular formula
- C8H4ClN3O4
- Average molar mass
- 241.59 g/mol
- Monoisotopic mass
- 240.98903329
Names & identifiers
- Preferred name
- 7-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione
- IUPAC
- 7-chloro-6-nitro-1H-quinazoline-2,4-dione
Names & synonyms
76822-66-77-Chloro-6-nitroquinazoline-2,4(1H,3H)-dioneDTXSID10326228RefChem:310650DTXCID102773427-chloro-6-nitro-1,2,3,4-tetrahydroquinazoline-2,4-dioneNSC5256067-chloro-6-nitro-2,4(1H,3H)-quinazolinedioneSCHEMBL8135744ZOCGHLGJCUHECJ-UHFFFAOYSA-NNSC-525606DB-108238
Database identifiers
- CAS
76822-66-7- PubChem CID
- 352268
- DTXSID
DTXSID10326228
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 356
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Related reactions
2 records
Compound notes
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