| CAS Number | 1820711-74-7 |
| Catalog Number | AG00I109(AGN-PC-0WR7FU) |
| Chemical Name | 2-amino-6-fluoro-1,3-benzoxazole-5-carboxylic acid |
| IUPAC Name | 2-amino-6-fluoro-1,3-benzoxazole-5-carboxylic acid |
| InChI | InChI=1S/C8H5FN2O3/c9-4-2-6-5(11-8(10)14-6)1-3(4)7(12)13/h1-2H,(H2,10,11)(H,12,13) |
| InChI Key | UTUBDHBSSHBQAV-UHFFFAOYSA-N |
| MDL Number | MFCD27936900 |
| Molecular Formula | C8H5FN2O3 |
| Molecular Weight | 196.1353 |
| SMILES | Nc1oc2c(n1)cc(c(c2)F)C(=O)O |
| Synonyms | 2-AMINO-6-FLUORO-1,3-BENZOXAZOLE-5-CARBOXYLIC ACID,
1820711-74-7,
ZINC97757433,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.137g/mol |
| Monoisotopic Mass | 196.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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