Basic information
- CAS
868260-08-6- Standard SMILES
ON1C(c2cccc(Cl)c2)=NNc2cc(Cl)c(Cl)cc21- InChIKey
MNTXDTSSZICPPF-UHFFFAOYSA-N- Molecular formula
- C13H8Cl3N3O
- Average molar mass
- 328.6 g/mol
- Monoisotopic mass
- 326.973295
Names & identifiers
- Preferred name
- 6,7-Dichloro-3-(3-chlorophenyl)-1,2,4-benzotriazin-4(1H)-OL
- IUPAC
- 6,7-dichloro-3-(3-chlorophenyl)-4-hydroxy-1H-1,2,4-benzotriazine
- English name
- 6,7-Dichloro-3-(3-chlorophenyl)-1,2,4-benzotriazin-4(1H)-ol
- Molecular formula
- C13H8Cl3N3O
- Molecular weight
- 328.58
Names & synonyms
AKOS0244131476,7-DICHLORO-3-(3-CHLOROPHENYL)-1,2,4-BENZOTRIAZIN-4(1H)-OL1,2,4-Benzotriazine, 6,7-dichloro-3-(3-chlorophenyl)-1,4-dihydro-4-hydroxy-
Database identifiers
- CAS
868260-08-6- PubChem CID
- 3691569
- EC Number
- 139-395-0
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Boiling point
- 518.917 · 518.917±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.628 · 1.628±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.114 · -1.114±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…