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2,2-Dibromo-2-cyanoacetamide

CAT: 0127-BUP20637-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20637-01Size:5 mg
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CAS Number
53780-34-0
Purity
=98%
Smiles
O=C(NC=1C=C(NS(=O)(=O)C(F)(F)F)C(=CC1C)C)C

Chemical Information

Mefluidide

Mefluidide is a sulfonamide.

CAS Number53780-34-0
PubChem CID40896
IUPAC NameN-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]acetamide
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.29
XLogP2
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity459
SMILES
CC1=CC(=C(C=C1NC(=O)C)NS(=O)(=O)C(F)(F)F)C
InChI
InChI=1S/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)
InChIKey
OKIBNKKYNPBDRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mefluidide
CAS: 53780-34-0
CID: 40896
Formula: C11H13F3N2O3S
MW: 310.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.29
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass310.05989794
Monoisotopic Mass310.05989794
Topological Polar Surface Area83.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity459
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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