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Fenofibric Acid

CAT: 0024-sc-211501ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-211501ASize:100 mg
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CAS Number
42017-89-0

Chemical Information

Fenofibric Acid

Fenofibric acid is a monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate. It has a role as a drug metabolite and a marine xenobiotic metabolite. It is a chlorobenzophenone, a monocarboxylic acid and an aromatic ketone.

CAS Number42017-89-0
PubChem CID64929
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid
Molecular FormulaC17H15ClO4
Molecular Weight318.7
XLogP3.9
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity405
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
InChIKey
MQOBSOSZFYZQOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fenofibric Acid
CAS: 42017-89-0
CID: 64929
Formula: C17H15ClO4
MW: 318.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight318.7
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass318.0658866
Monoisotopic Mass318.0658866
Topological Polar Surface Area63.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity405
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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