4,7-Methano-1H-(1,2)diazeto(3,4-f)benzotriazole, 1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-
Basic information
- CAS
65245-23-0- Standard SMILES
Clc1ccc(N2N=NC3C4CC(C5N=NC45)C32)cc1- InChIKey
DPOWHSMECVNHAT-UHFFFAOYSA-N- Molecular formula
- C13H12ClN5
- Average molar mass
- 273.72 g/mol
- Monoisotopic mass
- 273.0781231
Names & identifiers
- Preferred name
- 4,7-Methano-1H-(1,2)diazeto(3,4-f)benzotriazole, 1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-
- IUPAC
- 5-(4-chlorophenyl)-3,4,5,9,10-pentazatetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene
- English name
- tetcyclacis
- Molecular formula
- C13H12ClN5
- Molecular weight
- 273.72
Names & synonyms
65245-23-01-(4-Chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3',4':4,5]benzo[1,2-d][1,2,3]triazoletetcyclasis4,7-Methano-1H-(1,2)diazeto(3,4-f)benzotriazole, 1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-SCHEMBL122769DTXSID608720635-(4-chlorophenyl)-3,4,5,9,10-pentaazatetracyclo[ 5,4,1,02,6,08,11]do deca-3,9-dien1-(4-Chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3,4-f][1,2,3]benzotriazole1-(4-Chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-1H-4,7-methano[1,2]diazeto[3,4-f]benzotriazole4,7-Methano-1H-[1,2]diazeto[3,4-f]-1,2,3-benzotriazole, 1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-BAS-106tetcyclacis
Show more names
5-(4-Chlorophenyl)-3,4,5,9,10-pentaazatetracyclo[5.4.1.02,6.08,11]dodecane-3,9-diene1-(4-Chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-4,7-methano-1H-[1,2]diazete[3,4-f]benzotriazole4,7-Methano-1H-[1,2]diazeto[3,4-f]benzotriazole, 1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-
Database identifiers
- CAS
65245-23-0- PubChem CID
- 91690
- DTXSID
DTXSID60872063- Nikkaji
- J375.030B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 407.4 · 407.4±55.0 °C(Predicted)
- Density
- 1.97 · 1.97±0.1 g/cm3(Predicted)
- pka
- 0.46 · 0.46±0.20(Predicted)
- FDA UNII
- 3 X7E1WJ6HO · 3X7E1WJ6HO
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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