7-Chloro-3-(2-chloro-6-nitrobenzyl)-4(3H)-quinazolinone
Basic information
- CAS
892156-90-0- Standard SMILES
O=c1c2ccc(Cl)cc2ncn1Cc1c(Cl)cccc1[N+](=O)[O-]- InChIKey
MDMCMKVGJBNECA-UHFFFAOYSA-N- Molecular formula
- C15H9Cl2N3O3
- Average molar mass
- 350.2 g/mol
- Monoisotopic mass
- 349.0020965
Names & identifiers
- Preferred name
- 7-Chloro-3-(2-chloro-6-nitrobenzyl)-4(3H)-quinazolinone
- IUPAC
- 7-chloro-3-[(2-chloro-6-nitrophenyl)methyl]quinazolin-4-one
- English name
- 7-Chloro-3-(2-chloro-6-nitrobenzyl)-4(3H)-quinazolinone
- Molecular formula
- C15H9Cl2N3O3
- Molecular weight
- 350.16
Names & synonyms
AKOS0244089067-CHLORO-3-(2-CHLORO-6-NITROBENZYL)-4(3H)-QUINAZOLINONE4(3H)-Quinazolinone, 7-chloro-3-[(2-chloro-6-nitrophenyl)methyl]-
Database identifiers
- CAS
892156-90-0- PubChem CID
- 4558746
- EC Number
- 126-819-4
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Boiling point
- 535.76 · 535.760±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.554 · 1.554±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.064 · -1.064±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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