| CAS Number | 816449-69-1 |
| Catalog Number | AG01FH87(AGN-PC-09RZWN) |
| Chemical Name | Methyl 4-fluoro-3-(hydroxymethyl)benzoate |
| IUPAC Name | methyl 4-fluoro-3-(hydroxymethyl)benzoate |
| InChI | InChI=1S/C9H9FO3/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-4,11H,5H2,1H3 |
| InChI Key | BGNYVZWFGWVYFM-UHFFFAOYSA-N |
| MDL Number | MFCD15527250 |
| Molecular Formula | C9H9FO3 |
| Molecular Weight | 184.1644 |
| SMILES | COC(=O)c1ccc(c(c1)CO)F |
| Synonyms | METHYL 4-FLUORO-3-(HYDROXYMETHYL)BENZOATE,
816449-69-1,
4-fluoro-3-hydroxymethyl-benzoic acid methyl ester,
SCHEMBL12808621,
MFCD15527250,
ZINC75844796,
AKOS023096572,
FCH1187348,
PC501655,
SC-37414,
AX8277782,
|
| Complexity | 184 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number