Basic information
- Standard SMILES
COC(C)(C)Cn1ccc([N+](=O)[O-])n1- InChIKey
OWYDIZOJDVCTHY-UHFFFAOYSA-N- Molecular formula
- C8H13N3O3
- Average molar mass
- 199.21 g/mol
Names & identifiers
- Preferred name
- 1-(2-methoxy-2-methyl-propyl)-3-nitro-1H-pyrazole
- IUPAC
- 1-(2-methoxy-2-methylpropyl)-3-nitropyrazole
Names & synonyms
SCHEMBL1080326OWYDIZOJDVCTHY-UHFFFAOYSA-NDB-2109761-(2-Methoxy-2-methylpropyl)-3-Nitro-1h-pyrazole1-(2-methoxy-2-methyl-propyl)-3-nitro-1H-pyrazole1003013-89-5
Database identifiers
- PubChem CID
- 66899320
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Related reactions
6 records
Compound notes
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