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Fludioxonil-[13C3]

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Fludioxonil-[13C3]

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General Information
Catalog: BLP-005477
CAS: 1185003-07-9
Molecular Formula: C9[13C]3H6F2N2O2
Molecular Weight: 251.16

Chemical Structure

Description	Fludioxonil-[13C3] is the labelled analogue of Fludioxonil, which is a non-systemic fungicide.
Synonyms	Fludioxonil 13C3; 4-(2,2-Difluoro-2H-1,3-benzodioxol-4-yl)(3,4-13C2)-1H-pyrrole-3-(13C)carbonitrile
IUPAC Name	4-(2,2-difluoro-1,3-benzodioxol-4-yl)-(3,4-13C2)1H-pyrrole-3-carbonitrile
Related CAS	131341-86-1 (unlabelled)
Isomeric SMILES	C1=CC(=C2C(=C1)OC(O2)(F)F)[13C]3=CNC=[13C]3[13C]#N
Canonical SMILES	C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N
InChI	InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H/i4+1,7+1,9+1
InChI Key	MUJOIMFVNIBMKC-XWKFXZGISA-N
Melting Point	91-94°C
Purity	>98%
Density	1.6±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White Solid
Storage	Store at -20°C