Basic information
- CAS
33682-99-4- Standard SMILES
Clc1cccc(C=Nn2nnc3ccccc32)c1- InChIKey
LMYYNYZBEKYYJF-UHFFFAOYSA-N- Molecular formula
- C13H9ClN4
- Average molar mass
- 256.69 g/mol
- Monoisotopic mass
- 256.051574
Names & identifiers
- Preferred name
- Agn-PC-0jtiie
- IUPAC
- N-(benzotriazol-1-yl)-1-(3-chlorophenyl)methanimine
- English name
- 1-[(m-Chlorobenzylidene)amino]-1H-benzotriazole
- Molecular formula
- C13H9ClN4
- Molecular weight
- 256.69
Names & synonyms
AGN-PC-0JTIIE33682-99-4DTXSID30344404N-(1H-1,2,3-benzotriazol-1-yl)-1-(3-chlorophenyl)methanimine1-[(m-Chlorobenzylidene)amino]-1H-benzotriazole
Database identifiers
- CAS
33682-99-4- PubChem CID
- 596629
- DTXSID
DTXSID30344404
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 437.682 · 437.682±47.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.347 · 1.347±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.569 · 1.569±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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