| CAS Number | 130232-51-8 |
| Catalog Number | AG009JIT(AGN-PC-0PJ5XP) |
| Chemical Name | Ciprofibrate Methyl Ester |
| IUPAC Name | methyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoate |
| 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 |
| InChI Key | QKMIJFOKKANKAZ-UHFFFAOYSA-N |
| MDL Number | MFCD21091766 |
| Molecular Formula | C14H16Cl2O3 |
| Molecular Weight | 303.1810 |
| SMILES | O=C(OC)C(OC1=CC=C(C2C(Cl)(Cl)C2)C=C1)(C)C |
| Synonyms | Ciprofibrate Impurity D,
130232-51-8,
SCHEMBL9779928,
QKMIJFOKKANKAZ-UHFFFAOYSA-N,
methyl 2-[p-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropionate,
2-[4-(2,2-Dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid methyl ester,
Ciprofibrate Methyl Ester,
CID9944254,
Methyl 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methyl-propanoate,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.179g/mol |
| Monoisotopic Mass | 302.048g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number