Basic information
- CAS
27200-08-4- Standard SMILES
O=[N+]([O-])c1cnn(-c2ccccc2)n1- InChIKey
YRWAJOUPZPIBAQ-UHFFFAOYSA-N- Molecular formula
- C8H6N4O2
- Average molar mass
- 190.16 g/mol
- Monoisotopic mass
- 190.04907545
Names & identifiers
- Preferred name
- 4-Nitro-2-phenyl-2H-1,2,3-triazole
- IUPAC
- 4-nitro-2-phenyltriazole
Names & synonyms
4-Nitro-2-phenyl-2H-1,2,3-triazole27200-08-4DTXSID30324165RefChem:295006DTXCID10275282NSC405913SCHEMBL9768272NSC-405913
Database identifiers
- CAS
27200-08-4- PubChem CID
- 347306
- DTXSID
DTXSID30324165
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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