4-iodo-3,5-bis(trifluoromethyl)-1H-pyrazole

4-iodo-3,5-bis(trifluoromethyl)-1H-pyrazole

Formula: C5HF6IN2

SMILES: FC(F)(F)C1=C(I)C(=NN1)C(F)(F)F

IUPAC: 4-iodo-3,5-bis(trifluoromethyl)-1H-pyrazole

InChI: InChI=1S/C5HF6IN2/c6-4(7,8)2-1(12)3(14-13-2)5(9,10)11/h(H,13,14)

Composition: C (18.20%), H (0.31%), F (34.55%), I (38.46%), N (8.49%)

Molar Mass: 329.972

Atom Count: 15

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	329.90886
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	OTYORVJCWWESOF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.56
Topological Polar Surface Area	28.68
Polarizability	16.28
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C5HF6IN2		Quote Only