| CAS Number | 1179133-84-6 |
| Catalog Number | AG01EJFG |
| Chemical Name | methyl 6-amino-3-ethoxy-2-fluorobenzoate |
| IUPAC Name | methyl 6-amino-3-ethoxy-2-fluorobenzoate |
| InChI | InChI=1S/C10H12FNO3/c1-3-15-7-5-4-6(12)8(9(7)11)10(13)14-2/h4-5H,3,12H2,1-2H3 |
| InChI Key | OSLNIKAAIDRINT-UHFFFAOYSA-N |
| MDL Number | MFCD12820294 |
| Molecular Formula | C10H12FNO3 |
| Molecular Weight | 213.2056 |
| SMILES | CCOC1=C(F)C(C(OC)=O)=C(N)C=C1 |
| Synonyms | AKOS010228317,
methyl 6-amino-3-ethoxy-2-fluorobenzoate,
1179133-84-6,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.208g/mol |
| Monoisotopic Mass | 213.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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