Ethyl 1-methyl-3-(2-methylpropyl)-4-nitropyrazole-5-carboxylate
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Basic information
- CAS
911715-33-8- Standard SMILES
CCOC(=O)c1c([N+](=O)[O-])c(CC(C)C)nn1C- InChIKey
KTCJNILFJCAQDS-UHFFFAOYSA-N- Molecular formula
- C11H17N3O4
- Average molar mass
- 255.27 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-methyl-3-(2-methylpropyl)-4-nitropyrazole-5-carboxylate
- IUPAC
- ethyl 1-methyl-3-(2-methylpropyl)-4-nitropyrazole-5-carboxylate
- English name
- 1-Methyl-3-(2-methylpropyl)-4-nitro-1H-pyrazole-5-carboxylicacidethylester
- Molecular formula
- C11H17N3O4
- Molecular weight
- 0
Names & synonyms
1-Methyl-3-(2-methylpropyl)-4-nitro-1H-pyrazole-5-carboxylicacidethylester
Database identifiers
- CAS
911715-33-8
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
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Compound notes
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