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Ciprofibrate methyl ester

CAT: 0926-FFA23251-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FFA23251-02Size:500 mg
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CAS Number
130232-51-8
Smiles
CC (C) (C (=O) OC) OC1=CC=C (C=C1) C2CC2 (Cl) Cl
Molecular Formula
C14H16Cl2O3
Molecular Weight
303.2 g/mol
Controlled
No

Chemical Information

Ciprofibrate Impurity D
CAS Number130232-51-8
PubChem CID9944254
IUPAC Namemethyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoate
Molecular FormulaC14H16Cl2O3
Molecular Weight303.2
XLogP3.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity347
SMILES
CC(C)(C(=O)OC)OC1=CC=C(C=C1)C2CC2(Cl)Cl
InChI
InChI=1S/C14H16Cl2O3/c1-13(2,12(17)18-3)19-10-6-4-9(5-7-10)11-8-14(11,15)16/h4-7,11H,8H2,1-3H3
InChIKey
QKMIJFOKKANKAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ciprofibrate Impurity D
CAS: 130232-51-8
CID: 9944254
Formula: C14H16Cl2O3
MW: 303.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight303.2
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass302.0476498
Monoisotopic Mass302.0476498
Topological Polar Surface Area35.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity347
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes