Basic information
- CAS
591755-13-4- Standard SMILES
O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1ccccc1- InChIKey
KYXLIHXITJCEKW-UHFFFAOYSA-N- Molecular formula
- C15H11N3O3
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.08004122
Names & identifiers
- Preferred name
- 3-Benzyl-7-nitroquinazolin-4-one
- IUPAC
- 3-benzyl-7-nitroquinazolin-4-one
Names & synonyms
591755-13-47-Nitro-3-(phenylmethyl)-4(3H)-quinazolinone3-Benzyl-7-nitroquinazolin-4(3H)-one3-benzyl-7-nitroquinazolin-4-oneDTXSID301256376AKOS0036742283-benzyl-7-nitro-4(3H)-quinazolinoneSR-01000271765SR-01000271765-1
Database identifiers
- CAS
591755-13-4- PubChem CID
- 976596
- DTXSID
DTXSID301256376- Nikkaji
- J1.905.763A
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
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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