| CAS Number | 1268830-91-6 |
| Catalog Number | AG009FMP(AGN-PC-0WQVNE) |
| Chemical Name | Methyl 3-amino-6-fluoro-2-methoxybenzoate |
| IUPAC Name | methyl 3-amino-6-fluoro-2-methoxybenzoate |
| InChI | InChI=1S/C9H10FNO3/c1-13-8-6(11)4-3-5(10)7(8)9(12)14-2/h3-4H,11H2,1-2H3 |
| InChI Key | OXIXBTNLXLNCFX-UHFFFAOYSA-N |
| MDL Number | MFCD20703233 |
| Molecular Formula | C9H10FNO3 |
| Molecular Weight | 199.1790 |
| SMILES | COC(=O)c1c(F)ccc(N)c1OC |
| Synonyms | methyl 3-amino-6-fluoro-2-methoxybenzoate,
1268830-91-6,
3-Amino-6-fluoro-2-methoxybenzoic Acid Methyl Ester,
SCHEMBL1438360,
OXIXBTNLXLNCFX-UHFFFAOYSA-N,
MFCD20703233,
ZINC116177515,
DS-10141,
CS-0036725,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.181g/mol |
| Monoisotopic Mass | 199.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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