3-(2-Nitrobenzyl)-4(3H)-quinazolinone
Basic information
- CAS
500348-87-8- Standard SMILES
O=c1c2ccccc2ncn1Cc1ccccc1[N+](=O)[O-]- InChIKey
ZKCLILYELAGDHJ-UHFFFAOYSA-N- Molecular formula
- C15H11N3O3
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.08004122
Names & identifiers
- Preferred name
- 3-(2-Nitrobenzyl)-4(3H)-quinazolinone
- IUPAC
- 3-[(2-nitrophenyl)methyl]quinazolin-4-one
Names & synonyms
NSC458223-(2-NITROBENZYL)-4(3H)-QUINAZOLINONENSC-45822AKOS024327307
Database identifiers
- CAS
500348-87-8- PubChem CID
- 239989
- EC Number
- 138-315-1
- Nikkaji
- J3.407.567K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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