| CAS Number | 1820734-63-1 |
| Catalog Number | AG00I12T(AGN-PC-0WR7G2) |
| Chemical Name | methyl 2-amino-6-fluoro-1,3-benzoxazole-7-carboxylate |
| IUPAC Name | methyl 2-amino-6-fluoro-1,3-benzoxazole-7-carboxylate |
| InChI | InChI=1S/C9H7FN2O3/c1-14-8(13)6-4(10)2-3-5-7(6)15-9(11)12-5/h2-3H,1H3,(H2,11,12) |
| InChI Key | LUBOBAFKJFBAJG-UHFFFAOYSA-N |
| MDL Number | MFCD27936907 |
| Molecular Formula | C9H7FN2O3 |
| Molecular Weight | 210.1619 |
| SMILES | COC(=O)c1c(F)ccc2c1oc(n2)N |
| Synonyms | METHYL 2-AMINO-6-FLUORO-1,3-BENZOXAZOLE-7-CARBOXYLATE,
1820734-63-1,
ZINC97757440,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.164g/mol |
| Monoisotopic Mass | 210.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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