| CAS Number | 2102196-57-4 |
| Catalog Number | AG01EOMM(AGN-PC-3H46FN) |
| Chemical Name | 2-[[4-[(2'-Chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl]sulfonyl]acetic acid |
| IUPAC Name | 2-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]sulfonylacetic acid |
| InChI | InChI=1S/C21H17ClO5S/c22-20-7-2-1-6-19(20)16-5-3-4-15(12-16)13-27-17-8-10-18(11-9-17)28(25,26)14-21(23)24/h1-12H,13-14H2,(H,23,24) |
| InChI Key | YEFZZALZTNOYEA-UHFFFAOYSA-N |
| MDL Number | MFCD31619242 |
| Molecular Formula | C21H17ClO5S |
| Molecular Weight | 416.8747 |
| SMILES | O=C(O)CS(=O)(C1=CC=C(OCC2=CC(C3=CC=CC=C3Cl)=CC=C2)C=C1)=O |
| Synonyms | FAA1 agonist-1,
2102196-57-4,
HY-103083,
CS-0023823,
|
| Complexity | 609 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 416.872g/mol |
| Monoisotopic Mass | 416.049g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 89A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number