5-(3,5-dinitrothiophen-2-yl)-4-nitro-1H-pyrazole

HCID 4094652

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Basic information

CAS: 19933-29-0
Standard SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2[nH]ncc2[N+](=O)[O-])s1
InChIKey: JTZKQILOTXGOQA-UHFFFAOYSA-N
Molecular formula: C7H3N5O6S
Average molar mass: 285.2 g/mol
Monoisotopic mass: 284.98040401

Names & identifiers

Preferred name: 5-(3,5-dinitrothiophen-2-yl)-4-nitro-1H-pyrazole
IUPAC: 5-(3,5-dinitrothiophen-2-yl)-4-nitro-1H-pyrazole
English name: 5-{3,5-bisnitro-2-thienyl}-4-nitro-1H-pyrazole
Molecular formula: C7H3N5O6S
Molecular weight: 285.19362

Names & synonyms

19933-29-03-(3,5-Dinitro-2-thienyl)-4-nitro-1H-pyrazole5-(3,5-dinitrothiophen-2-yl)-4-nitro-1H-pyrazole5-{3,5-bisnitro-2-thienyl}-4-nitro-1H-pyrazoleDTXSID001252218AI-942/133312193-(3,5-Dinitrothiophen-2-yl)-4-nitro-1H-pyrazole

Database identifiers

CAS: 19933-29-0
PubChem CID: 4094652
DTXSID: DTXSID001252218

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 194 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 404

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