5-Chloro-6-nitroquinazolin-2,4-dione
Basic information
- CAS
78754-82-2- Standard SMILES
O=c1[nH]c(=O)c2c(Cl)c([N+](=O)[O-])ccc2[nH]1- InChIKey
WIGAGKAOMGCAHT-UHFFFAOYSA-N- Molecular formula
- C8H4ClN3O4
- Average molar mass
- 241.59 g/mol
- Monoisotopic mass
- 240.9890333
Names & identifiers
- Preferred name
- 5-Chloro-6-nitroquinazolin-2,4-dione
- IUPAC
- 5-chloro-6-nitro-1H-quinazoline-2,4-dione
Names & synonyms
5-chloro-6-nitroquinazolin-2,4-dione78754-82-2SCHEMBL4707223WIGAGKAOMGCAHT-UHFFFAOYSA-NDTXSID6012584765-Chloro-6-nitro-2,4(1H,3H)-quinazolinedione5-Chloro-6-nitroquinazoline-2,4(1H,3H)-dione
Database identifiers
- CAS
78754-82-2- PubChem CID
- 21786871
- DTXSID
DTXSID601258476
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
Related reactions
2 records
Compound notes
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