| CAS Number | 1341974-27-3 |
| Catalog Number | AG019RSR |
| Chemical Name | 4-Fluoro-3-[(2-methoxyethoxy)methyl]benzoic acid |
| IUPAC Name | 4-fluoro-3-(2-methoxyethoxymethyl)benzoic acid |
| InChI | InChI=1S/C11H13FO4/c1-15-4-5-16-7-9-6-8(11(13)14)2-3-10(9)12/h2-3,6H,4-5,7H2,1H3,(H,13,14) |
| InChI Key | JIAQCDZCGINMFQ-UHFFFAOYSA-N |
| MDL Number | MFCD17287528 |
| Molecular Formula | C11H13FO4 |
| Molecular Weight | 228.2169 |
| SMILES | COCCOCC1=C(F)C=CC(C(O)=O)=C1 |
| Synonyms | 4-fluoro-3-[(2-methoxyethoxy)methyl]benzoic acid,
1341974-27-3,
ZINC62761101,
AKOS012372995,
MCULE-8930136211,
NE36182,
EN300-90366,
Z1516118937,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.219g/mol |
| Monoisotopic Mass | 228.08g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number