1-(2,2-difluoroethyl)-4-iodo-3-nitro-1H-pyrazole

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Basic information

CAS: 1354706-67-4
Standard SMILES: O=[N+]([O-])c1nn(CC(F)F)cc1I
InChIKey: GSZZYMGNNCAOGQ-UHFFFAOYSA-N
Molecular formula: C5H4F2IN3O2
Average molar mass: 303.01 g/mol
Monoisotopic mass: 302.93163

Names & identifiers

Preferred name: 1-(2,2-difluoroethyl)-4-iodo-3-nitro-1H-pyrazole
IUPAC: 1-(2,2-difluoroethyl)-4-iodo-3-nitropyrazole

Names & synonyms

1354706-67-41-(2,2-difluoroethyl)-4-iodo-3-nitro-1H-pyrazole1-(2,2-difluoroethyl)-4-iodo-3-nitropyrazoleMFCD245396181-(2,2-difluoroethyl)-4-iodo-3-nitro-pyrazoleDTXSID001227322SBB074137AKOS0159209751H-Pyrazole, 1-(2,2-difluoroethyl)-4-iodo-3-nitro-

Database identifiers

CAS: 1354706-67-4
PubChem CID: 60136749
DTXSID: DTXSID001227322

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 201

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Compound notes

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