Basic information
- CAS
65642-28-6- Standard SMILES
CCn1ncc2ccc([N+](=O)[O-])cc21- InChIKey
UVKQCQOSOXCDRL-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.06947654
Names & identifiers
- Preferred name
- 1H-Indazole, 1-ethyl-6-nitro-
- IUPAC
- 1-ethyl-6-nitroindazole
Names & synonyms
1H-Indazole, 1-ethyl-6-nitro-65642-28-61-Ethyl-6-nitro-1H-indazoleSCHEMBL20770037DTXSID40495259MFCD28668047
Database identifiers
- CAS
65642-28-6- PubChem CID
- 12378219
- DTXSID
DTXSID40495259
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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