(1e)-1-(2-Nitrophenyl)-3-phenyltriaz-1-ene

HCID 257562

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Basic information

CAS: 25977-78-0
Standard SMILES: O=[N+]([O-])c1ccccc1N=NNc1ccccc1
InChIKey: CJKVUAVRBPXZBX-UHFFFAOYSA-N
Molecular formula: C12H10N4O2
Average molar mass: 242.23 g/mol
Monoisotopic mass: 242.08037557

Names & identifiers

Preferred name: (1e)-1-(2-Nitrophenyl)-3-phenyltriaz-1-ene
IUPAC: N-[(2-nitrophenyl)diazenyl]aniline

Names & synonyms

25977-78-0MLS002694650(1e)-1-(2-nitrophenyl)-3-phenyltriaz-1-eneNSC85671NCIOpen2_004827SCHEMBL2003140SCHEMBL9006320CHEMBL1701813DTXSID10292813HMS3085F16NSC-85671SMR001560575

Database identifiers

CAS: 25977-78-0
PubChem CID: 257562
DTXSID: DTXSID10292813
ChEMBL: CHEMBL1701813

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 82.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 297

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