| CAS Number | 1797883-74-9 |
| Catalog Number | AG01CBA3(AGN-PC-0WBNCI) |
| Chemical Name | 2-(2-Fluoro-[1,1'-biphenyl]-4-yl)-2,3-dimethylsuccinic acid |
| IUPAC Name | 2-(3-fluoro-4-phenylphenyl)-2,3-dimethylbutanedioic acid |
| InChI | InChI=1S/C18H17FO4/c1-11(16(20)21)18(2,17(22)23)13-8-9-14(15(19)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21)(H,22,23) |
| InChI Key | YVWIRDHPNGRLMV-UHFFFAOYSA-N |
| MDL Number | MFCD30187028 |
| Molecular Formula | C18H17FO4 |
| Molecular Weight | 316.3236 |
| SMILES | CC(C(=O)O)C(C)(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O |
| Synonyms | Flurbiprofen EP Impurity B,
1797883-74-9,
SCHEMBL3358492,
2-(2-Fluorobiphenyl-4-yl)-2,3-dimethylbutanedioic Acid; 2-(2-Fluoro[1,1'-biphenyl]-4-yl)-2,3-dimethylbutanedioic Acid,
YVWIRDHPNGRLMV-UHFFFAOYSA-N,
2-(2-Fluoro[1,1'-biphenyl]-4-yl)-2,3-dimethylbutanedioic Acid,
|
| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.111087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.3g/mol |
| Monoisotopic Mass | 316.111087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.6Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number