| CAS Number | 773136-55-3 |
| Catalog Number | AG00G41P |
| Chemical Name | ethyl 4-fluoro-3-methoxybenzoate |
| IUPAC Name | ethyl 2-fluoro-6-methoxybenzoate |
| InChI | InChI=1S/C10H11FO3/c1-3-14-10(12)9-7(11)5-4-6-8(9)13-2/h4-6H,3H2,1-2H3 |
| InChI Key | PWTGADHDRWQHRI-UHFFFAOYSA-N |
| MDL Number | MFCD06204446 |
| Molecular Formula | C10H11FO3 |
| Molecular Weight | 198.1909 |
| SMILES | O=C(OCC)C1=C(OC)C=CC=C1F |
| Synonyms | Ethyl 2-Fluoro-6-methoxybenzoate,
773136-55-3,
PubChem18890,
DTXSID00673273,
ZINC44200633,
AKOS006294484,
FS-5829,
2-Fluoro-6-methoxybenzoic acid ethyl ester,
FT-0723914,
ethyl 4-fluoro-3-methoxybenzoate,
|
| 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