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Isoxaflutole

CAT: 0013-GTR19172427-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172427-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Isoxaflutole
CAS Number
141112-29-0
Product Name Alternative
Merlin, Isoxaflutole, RP 201772, RP201772, RP-201772
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Purity
98.49% (May vary between batches)
Solubility
DMSO:55 mg/mL (153.07 mM)
Smiles
CS (=O) (=O) c1cc (ccc1C (=O) c1cnoc1C1CC1) C (F) (F) F
Molecular Formula
C15H12F3NO4S
Molecular Weight
359.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isoxaflutole

Isoxaflutole can cause cancer according to The Environmental Protection Agency (EPA).

CAS Number141112-29-0
PubChem CID84098
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
Molecular FormulaC15H12F3NO4S
Molecular Weight359.3
XLogP2.4
Topological Polar Surface Area85.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity597
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3
InChI
InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
InChIKey
OYIKARCXOQLFHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoxaflutole
CAS: 141112-29-0
CID: 84098
Formula: C15H12F3NO4S
MW: 359.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.3
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass359.04391352
Monoisotopic Mass359.04391352
Topological Polar Surface Area85.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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