4-Iodo-1-isobutyl-3-nitro-1H-pyrazole
Basic information
- CAS
1354706-06-1- Standard SMILES
CC(C)Cn1cc(I)c([N+](=O)[O-])n1- InChIKey
DVNLPKVFIJBHJG-UHFFFAOYSA-N- Molecular formula
- C7H10IN3O2
- Average molar mass
- 295.08 g/mol
- Monoisotopic mass
- 294.98177
Names & identifiers
- Preferred name
- 4-Iodo-1-isobutyl-3-nitro-1H-pyrazole
- IUPAC
- 4-iodo-1-(2-methylpropyl)-3-nitropyrazole
Names & synonyms
4-Iodo-1-isobutyl-3-nitro-1H-pyrazole1354706-06-14-iodo-1-(2-methylpropyl)-3-nitropyrazoleDTXSID301240610SBB074124AKOS0159209944-Iodo-1-(2-methylpropyl)-3-nitro-1H-pyrazole1H-Pyrazole, 4-iodo-1-(2-methylpropyl)-3-nitro-
Database identifiers
- CAS
1354706-06-1- PubChem CID
- 60136737
- DTXSID
DTXSID301240610
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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