Basic information
- CAS
883818-76-6- Standard SMILES
O=c1c2ccc(Cl)cc2ncn1Cc1ccccc1[N+](=O)[O-]- InChIKey
QZNWUKUZWBESJM-UHFFFAOYSA-N- Molecular formula
- C15H10ClN3O3
- Average molar mass
- 315.71 g/mol
- Monoisotopic mass
- 315.0410689
Names & identifiers
- Preferred name
- 7-Chloro-3-[(2-nitrophenyl)methyl]quinazolin-4-one
- IUPAC
- 7-chloro-3-[(2-nitrophenyl)methyl]quinazolin-4-one
- English name
- 7-Chloro-3-(2-nitrobenzyl)-4(3H)-quinazolinone
- Molecular weight
- 315.71
Names & synonyms
7-chloro-3-[(2-nitrophenyl)methyl]quinazolin-4-oneAKOS024327309ST504518477-CHLORO-3-(2-NITROBENZYL)-4(3H)-QUINAZOLINONE4(3H)-Quinazolinone, 7-chloro-3-[(2-nitrophenyl)methyl]-
Database identifiers
- CAS
883818-76-6- PubChem CID
- 4465366
- EC Number
- 138-312-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Boiling point
- 523.552 · 523.552±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.462 · 1.462±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.598 · -0.598±0.20(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…