3-(3,4-dichlorophenyl)-1,2,4-benzotriazin-4(1H)-ol
Basic information
- CAS
868254-79-9- Standard SMILES
ON1C(c2ccc(Cl)c(Cl)c2)=NNc2ccccc21- InChIKey
JQVATGGNQFPAEH-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2N3O
- Average molar mass
- 294.13 g/mol
- Monoisotopic mass
- 293.0122673
Names & identifiers
- Preferred name
- 3-(3,4-dichlorophenyl)-1,2,4-benzotriazin-4(1H)-ol
- IUPAC
- 3-(3,4-dichlorophenyl)-4-hydroxy-1H-1,2,4-benzotriazine
- English name
- 3-(3,4-Dichlorophenyl)-1,2,4-benzotriazin-4(1H)-ol
- Molecular formula
- C13H9Cl2N3O
- Molecular weight
- 294.14
Names & synonyms
AKOS0244131243-(3,4-dichlorophenyl)-1,2,4-benzotriazin-4(1H)-ol1,2,4-Benzotriazine, 3-(3,4-dichlorophenyl)-1,4-dihydro-4-hydroxy-
Database identifiers
- CAS
868254-79-9- PubChem CID
- 3760741
- EC Number
- 135-242-7
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Boiling point
- 477.172 · 477.172±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.528 · 1.528±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.233 · -0.233±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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