| CAS Number | 2340-00-3 |
| Catalog Number | AG01BUZ0(AGN-PC-0QZPRU) |
| Chemical Name | 2-(4-Fluorophenyl)-2-methoxyacetic acid |
| IUPAC Name | 2-(4-fluorophenyl)-2-methoxyacetic acid |
| InChI | InChI=1S/C9H9FO3/c1-13-8(9(11)12)6-2-4-7(10)5-3-6/h2-5,8H,1H3,(H,11,12) |
| InChI Key | XSSNXGQLLDQUCF-UHFFFAOYSA-N |
| MDL Number | MFCD20640066 |
| Molecular Formula | C9H9FO3 |
| Molecular Weight | 184.1644 |
| SMILES | O=C(C(C1=CC=C(C=C1)F)OC)O |
| Synonyms | 2-(4-fluorophenyl)-2-methoxyacetic acid,
2340-00-3,
SCHEMBL2388602,
XSSNXGQLLDQUCF-UHFFFAOYSA-N,
AKOS017530982,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.166g/mol |
| Monoisotopic Mass | 184.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number