| CAS Number | 127709-19-7 |
| Catalog Number | AG01BJDB(AGN-PC-0PILKQ) |
| Chemical Name | Benzeneacetic acid, 4-fluoro-a-hydroxy-, methyl ester |
| IUPAC Name | methyl 2-(4-fluorophenyl)-2-hydroxyacetate |
| InChI | InChI=1S/C9H9FO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8,11H,1H3 |
| InChI Key | BLBFLHCCPUAXDL-UHFFFAOYSA-N |
| MDL Number | MFCD16681137 |
| Molecular Formula | C9H9FO3 |
| Molecular Weight | 184.1644 |
| SMILES | FC1=CC=C(C=C1)C(C(=O)OC)O |
| Synonyms | Methyl 2-(4-Fluorophenyl)-2-hydroxyacetate,
127709-19-7,
methyl p-fluoromandelate,
SCHEMBL1566235,
BLBFLHCCPUAXDL-UHFFFAOYSA-N,
4-fluoromandelic acid methyl ester,
MFCD16681137,
AKOS010961110,
AS-9934,
methyl (4-fluorophenyl)(hydroxy)acetate,
2-hydroxy-2-(4-fluorophenyl)acetic acid methyl ester,
4-Fluoro-alpha-hydroxybenzeneacetic acid methyl ester,
Benzeneacetic acid, 4-fluoro-alpha-hydroxy-, methyl ester,
CID11063072,
Methyl 2-(4-fluorophenyl)-2-hydroxy-acetate,
|
| 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 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number