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Fluxametamide

CAT: 0607-BA6689-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6689-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
928783-29-3
Form
A solid
Molecular Formula
C20H16Cl2F3N3O3
Molecular Weight
474.26
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Fluxametamide
CAS Number928783-29-3
PubChem CID137159471
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(methoxyiminomethyl)-2-methylbenzamide
Molecular FormulaC20H16Cl2F3N3O3
Molecular Weight474.3
XLogP5.5
Topological Polar Surface Area72.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity712
SMILES
CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)NC=NOC
InChI
InChI=1S/C20H16Cl2F3N3O3/c1-11-5-12(3-4-16(11)18(29)26-10-27-30-2)17-9-19(31-28-17,20(23,24)25)13-6-14(21)8-15(22)7-13/h3-8,10H,9H2,1-2H3,(H,26,27,29)
InChIKey
BPFUIWLQXNPZHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluxametamide
CAS: 928783-29-3
CID: 137159471
Formula: C20H16Cl2F3N3O3
MW: 474.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight474.3
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass473.0520813
Monoisotopic Mass473.0520813
Topological Polar Surface Area72.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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