6-Nitro-2-phenyl-2H-indazole
Basic information
- CAS
61063-14-7- Standard SMILES
O=[N+]([O-])c1ccc2cn(-c3ccccc3)nc2c1- InChIKey
OEPXXZAIQFTFHD-UHFFFAOYSA-N- Molecular formula
- C13H9N3O2
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.06947654
Names & identifiers
- Preferred name
- 6-Nitro-2-phenyl-2H-indazole
- IUPAC
- 6-nitro-2-phenylindazole
Names & synonyms
6-Nitro-2-phenyl-2H-indazole61063-14-7DTXSID90339290RefChem:309178DTXCID30290371OEPXXZAIQFTFHD-UHFFFAOYSA-N2H-Indazole, 6-nitro-2-phenyl-MLS000698874SMR0002258316-nitro-2-phenylindazole2-phenyl-6-nitroindazole6-nitro-2-phenyl-indazole
Show more names
Oprea1_090620cid_555231CHEMBL1560655SCHEMBL18169192BDBM93798HMS2584G17STK765447AKOS001757228
Database identifiers
- CAS
61063-14-7- PubChem CID
- 555231
- DTXSID
DTXSID90339290- ChEMBL
CHEMBL1560655
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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