| CAS Number | 1272799-94-6 |
| Catalog Number | AG01A19P |
| Chemical Name | 3-[(benzyloxy)methyl]-4-fluorobenzoic acid |
| IUPAC Name | 4-fluoro-3-(phenylmethoxymethyl)benzoic acid |
| InChI | InChI=1S/C15H13FO3/c16-14-7-6-12(15(17)18)8-13(14)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18) |
| InChI Key | LRNIVEZBECJXEC-UHFFFAOYSA-N |
| MDL Number | MFCD17426901 |
| Molecular Formula | C15H13FO3 |
| Molecular Weight | 260.2603 |
| SMILES | OC(C1=CC(COCC2=CC=CC=C2)=C(F)C=C1)=O |
| Synonyms | 3-[(benzyloxy)methyl]-4-fluorobenzoic acid,
1272799-94-6,
ZINC62758968,
AKOS006195045,
MCULE-4679358482,
NE61834,
Z1456203052,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.264g/mol |
| Monoisotopic Mass | 260.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number