Basic information
- CAS
19838-82-5- Standard SMILES
Clc1ccc(N=NNc2ccccc2)cc1- InChIKey
JYGGBOOYHIFDNK-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3
- Average molar mass
- 231.68 g/mol
- Monoisotopic mass
- 231.056325
Names & identifiers
- Preferred name
- (1e)-1-(4-Chlorophenyl)-3-phenyltriaz-1-ene
- IUPAC
- N-[(4-chlorophenyl)diazenyl]aniline
Names & synonyms
19838-82-5(1e)-1-(4-chlorophenyl)-3-phenyltriaz-1-eneNSC85648DTXSID40292806NSC85670NSC-85648NSC-856701-Triazene, 3-(4-chlorophenyl)-1-phenyl-
Database identifiers
- CAS
19838-82-5- PubChem CID
- 257542
- DTXSID
DTXSID40292806
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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