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Fenofibrate Impurity 4

CAT: 1596-AR-F01298-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01298-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1797121-54-0
Synonyms
2- ((2- (4- (4-chlorobenzoyl) phenoxy) -2-methylpropanoyl) oxy) -2-methylpropanoic acid; 2-[4- (4-Chlorobenzoyl) phenoxy]-2-methylpropanoic Acid 1-Carboxyl-1-methylethyl Ester; Fenofibrate Impurity G
Molecular Formula
C21H21ClO6
Molecular Weight
404.84
API Name
Fenofibrate

Chemical Information

Fenofibric Acid 1-Carboxyl-1-methylethyl Ester
CAS Number1797121-54-0
PubChem CID125410693
IUPAC Name2-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxy-2-methylpropanoic acid
Molecular FormulaC21H21ClO6
Molecular Weight404.8
XLogP4.6
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity584
SMILES
CC(C)(C(=O)O)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C21H21ClO6/c1-20(2,18(24)25)28-19(26)21(3,4)27-16-11-7-14(8-12-16)17(23)13-5-9-15(22)10-6-13/h5-12H,1-4H3,(H,24,25)
InChIKey
GWSZPQHMJDXVNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fenofibric Acid 1-Carboxyl-1-methylethyl Ester
CAS: 1797121-54-0
CID: 125410693
Formula: C21H21ClO6
MW: 404.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.8
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass404.1026661
Monoisotopic Mass404.1026661
Topological Polar Surface Area89.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity584
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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