| CAS Number | 816449-68-0 |
| Catalog Number | AG01DWOL(AGN-PC-0CNRCM) |
| Chemical Name | 4-Fluoro-3-(hydroxymethyl)benzoic acid
|
| IUPAC Name | 4-fluoro-3-(hydroxymethyl)benzoic acid |
| InChI | InChI=1S/C8H7FO3/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3,10H,4H2,(H,11,12) |
| InChI Key | BZLBTNMTYJGLEV-UHFFFAOYSA-N |
| MDL Number | MFCD17287664 |
| Molecular Formula | C8H7FO3 |
| Molecular Weight | 170.1378 |
| SMILES | C(O)c1cc(C(=O)O)ccc1F |
| Synonyms | 4-Fluoro-3-(hydroxymethyl)benzoic acid,
816449-68-0,
4-fluoro-3-hydroxymethyl-benzoic acid,
SCHEMBL1401550,
MFCD17287664,
ZINC62762439,
AKOS012374230,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.139g/mol |
| Monoisotopic Mass | 170.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number