| CAS Number | 170645-87-1 |
| Catalog Number | AG016KE4(AGN-PC-3H45B4) |
| Chemical Name | Ethyl 3-fluoro-4-methoxybenzoate |
| IUPAC Name | ethyl 3-fluoro-4-methoxybenzoate |
| InChI | InChI=1S/C10H11FO3/c1-3-14-10(12)7-4-5-9(13-2)8(11)6-7/h4-6H,3H2,1-2H3 |
| InChI Key | VODIPQFZQVFWFX-UHFFFAOYSA-N |
| MDL Number | MFCD06204297 |
| Molecular Formula | C10H11FO3 |
| Molecular Weight | 198.1909 |
| SMILES | C(OCC)(=O)C1=CC=C(C(F)=C1)OC |
| Synonyms | ethyl 3-fluoro-4-methoxybenzoate,
170645-87-1,
SCHEMBL12056211,
ZINC43503564,
AKOS009147412,
3-Fluoro-4-methoxy-benzoic acid ethyl ester,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.193g/mol |
| Monoisotopic Mass | 198.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number