| CAS Number | 1820603-76-6 |
| Catalog Number | AG00I0FX(AGN-PC-0WR7GG) |
| Chemical Name | 2-amino-6-fluoro-1,3-benzoxazole-5-carbonitrile |
| IUPAC Name | 2-amino-6-fluoro-1,3-benzoxazole-5-carbonitrile |
| InChI | InChI=1S/C8H4FN3O/c9-5-2-7-6(1-4(5)3-10)12-8(11)13-7/h1-2H,(H2,11,12) |
| InChI Key | QKYAXEPBTUFVOP-UHFFFAOYSA-N |
| MDL Number | MFCD27936915 |
| Molecular Formula | C8H4FN3O |
| Molecular Weight | 177.1353 |
| SMILES | N#Cc1cc2nc(oc2cc1F)N |
| Synonyms | 2-AMINO-6-FLUORO-1,3-BENZOXAZOLE-5-CARBONITRILE,
1820603-76-6,
ZINC97757448,
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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 | 177.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.138g/mol |
| Monoisotopic Mass | 177.034g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 75.8A^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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