| CAS Number | 1258651-59-0 |
| Catalog Number | AG01ABFO |
| Chemical Name | 2-{3-[(3-chlorophenyl)methoxy]phenyl}acetic acid |
| IUPAC Name | 2-[3-[(3-chlorophenyl)methoxy]phenyl]acetic acid |
| InChI | InChI=1S/C15H13ClO3/c16-13-5-1-4-12(7-13)10-19-14-6-2-3-11(8-14)9-15(17)18/h1-8H,9-10H2,(H,17,18) |
| InChI Key | HDPXKGAGFFMDTM-UHFFFAOYSA-N |
| MDL Number | MFCD16385750 |
| Molecular Formula | C15H13ClO3 |
| Molecular Weight | 276.7149 |
| SMILES | OC(CC1=CC(OCC2=CC(Cl)=CC=C2)=CC=C1)=O |
| Synonyms | 2-{3-[(3-chlorophenyl)methoxy]phenyl}acetic acid,
1258651-59-0,
AC1Q74X1,
ZINC48806039,
AKOS010658115,
MCULE-5494091687,
NE22551,
EN300-71481,
Z1259273377,
|
| Complexity | 295 |
| 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