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Fenofibric Acid Ethyl Ester

CAT: 0572-TRC-F248670-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F248670-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
42019-08-9
Synonyms
Ethyl 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoate; Fenofibrate Imp. E (EP); Fenofibrate Impurity E
Hazard Statement
May cause damage to organs through prolonged or repeated exposure
Purity
>95% (HPLC)
Smiles
CCOC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2
Molecular Formula
C19 H19 Cl O4
Molecular Weight
346.8
InChI
InChI=1S/C19H19ClO4/c1-4-23-18(22)19(2,3)24-16-11-7-14(8-12-16)17(21)13-5-9-15(20)10-6-13/h5-12H,4H2,1-3H3
Additionnal Information
IUPAC name: ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ethyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate
CAS Number42019-08-9
PubChem CID3038934
IUPAC Nameethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
Molecular FormulaC19H19ClO4
Molecular Weight346.8
XLogP4.7
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity433
SMILES
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H19ClO4/c1-4-23-18(22)19(2,3)24-16-11-7-14(8-12-16)17(21)13-5-9-15(20)10-6-13/h5-12H,4H2,1-3H3
InChIKey
WAROHEJQMZXNDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate
CAS: 42019-08-9
CID: 3038934
Formula: C19H19ClO4
MW: 346.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.8
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass346.0971868
Monoisotopic Mass346.0971868
Topological Polar Surface Area52.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity433
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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