Basic information
- CAS
63193-60-2- Standard SMILES
O=[N+]([O-])c1cccc(NN=Nc2ccccc2)c1- InChIKey
MKDXOZANWLVESV-UHFFFAOYSA-N- Molecular formula
- C12H10N4O2
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.08037557
Names & identifiers
- Preferred name
- (1E)-3-(3-nitrophenyl)-1-phenyltriaz-1-ene
- IUPAC
- 3-nitro-N-phenyldiazenylaniline
Names & synonyms
(1E)-3-(3-nitrophenyl)-1-phenyltriaz-1-ene63193-60-2DTXSID70292814RefChem:204826DTXCID002439551-Triazene,3-(3-nitrophenyl)-1-phenyl-3-(3-Nitrophenyl)-1-phenyltriaz-1-ene3-nitro-N-phenyldiazenylanilineNSC85672NCIOpen2_005065MLS001194954CHEMBL575862
Show more names
MKDXOZANWLVESV-UHFFFAOYSA-NHMS2868C123-(3-nitrophenyl)-1-phenyltriazeneMFCD00621018N-[(E)-(3-nitrophenyl)azo]anilineNSC-85672AKOS0015766343-(3-nitrophenyl)-1-phenyl-1-triazene
Database identifiers
- CAS
63193-60-2- PubChem CID
- 257563
- DTXSID
DTXSID70292814- ChEMBL
CHEMBL575862- Nikkaji
- J2.966.047F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Experimental & physicochemical properties
Solubility0.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…