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Basic information
- Standard SMILES
Cc1nn(Cc2ccccc2)c2cccc([N+](=O)[O-])c12- InChIKey
CUWFKTMBEDKMHP-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.10077667
Names & identifiers
- Preferred name
- 1-benzyl-3-methyl-4-nitro-1H-indazole
- IUPAC
- 1-benzyl-3-methyl-4-nitroindazole
Names & synonyms
1-benzyl-3-methyl-4-nitro-1H-indazole1383474-91-6SCHEMBL9941525CUWFKTMBEDKMHP-UHFFFAOYSA-NDB-390825
Database identifiers
- PubChem CID
- 67976136
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Related reactions
2 records
Compound notes
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