| CAS Number | 880491-49-6 |
| Catalog Number | AG01C2AO(AGN-PC-0OLFJO) |
| Chemical Name | 6-amino-5-fluoro-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one |
| IUPAC Name | 6-amino-5-fluoro-3-methyl-1,3-benzoxazol-2-one |
| InChI | InChI=1S/C8H7FN2O2/c1-11-6-2-4(9)5(10)3-7(6)13-8(11)12/h2-3H,10H2,1H3 |
| InChI Key | BJNQXRSVCNWOFN-UHFFFAOYSA-N |
| MDL Number | MFCD21875897 |
| Molecular Formula | C8H7FN2O2 |
| Molecular Weight | 182.1518 |
| SMILES | CN1C2=C(C=C(C(=C2)F)N)OC1=O |
| Synonyms | 6-amino-5-fluoro-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one,
880491-49-6,
ZINC71481997,
AKOS022530531,
Z2285376686,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.154g/mol |
| Monoisotopic Mass | 182.049g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number