Basic information
- CAS
107469-97-6- Standard SMILES
O=C(NCc1nc2ccccc2[nH]c(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccccc1- InChIKey
ARACPQDSPBAOHI-UHFFFAOYSA-N- Molecular formula
- C28H21ClN4O
- Average molar mass
- 464.9 g/mol
- Monoisotopic mass
- 464.140389
Names & identifiers
- Preferred name
- N-[(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]benzamide
- IUPAC
- N-[(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]benzamide
- English name
- BENZAMIDE, N-((2-CHLORO-13-PHENYL-5H-DIBENZO(d,h)(1,3,6)TRIAZONIN-6-YL )METHYL)-
- Molecular weight
- 464.95
Names & synonyms
107469-97-6N-[(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]benzamide12-Benzamidomethyl-8-chloro-6-phenyl-11H-dibenzo(b,g)(1,3,6)triazonineN-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)benzamideBENZAMIDE, N-((2-CHLORO-13-PHENYL-5H-DIBENZO(d,h)(1,3,6)TRIAZONIN-6-YL)METHYL)-DTXSID201384736DTXSID801384734BENZAMIDE, N-((2-CHLORO-13-PHENYL-5H-DIBENZO(d,h)(1,3,6)TRIAZONIN-6-YL )METHYL)-N-[(2-Chloro-13-phenyl-7H-dibenzo[d,h][1,3,6]triazonin-6-yl)methyl]-benzamide
Database identifiers
- CAS
107469-97-6- PubChem CID
- 60190
- DTXSID
DTXSID201384736
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 650
Physicochemical properties
- Boiling point
- 864.008 · 864.008±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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