| CAS Number | 916908-15-1 |
| Catalog Number | AG01AB6Y(AGN-PC-00J2CW) |
| Chemical Name | 2-{3-[(4-chlorophenyl)methoxy]phenyl}acetic acid |
| IUPAC Name | 2-[3-[(4-chlorophenyl)methoxy]phenyl]acetic acid |
| InChI | InChI=1S/C15H13ClO3/c16-13-6-4-11(5-7-13)10-19-14-3-1-2-12(8-14)9-15(17)18/h1-8H,9-10H2,(H,17,18) |
| InChI Key | NGKBMFVBGSHBLA-UHFFFAOYSA-N |
| MDL Number | MFCD16385749 |
| Molecular Formula | C15H13ClO3 |
| Molecular Weight | 276.7149 |
| SMILES | OC(CC1=CC(OCC2=CC=C(Cl)C=C2)=CC=C1)=O |
| Synonyms | 2-{3-[(4-chlorophenyl)methoxy]phenyl}acetic acid,
916908-15-1,
AC1Q74X2,
MFCD16385749,
ZINC48806032,
AKOS010658103,
MCULE-4191723870,
NE37537,
EN300-70647,
2-{3-[(4-chlorophenyl)methoxy]phenyl}acetic acid, 95%,
Z1259273090,
CID11974929,
2-[3-[(4-chlorophenyl)methoxy]phenyl]acetic Acid,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.716g/mol |
| Monoisotopic Mass | 276.055g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number