| CAS Number | 1134819-90-1 |
| Catalog Number | AG01DM0I |
| Chemical Name | 6-Fluoro-3-(piperidin-4-yl)benzo[d]oxazol-2(3H)-one hydrochloride |
| IUPAC Name | 6-fluoro-3-piperidin-4-yl-1,3-benzoxazol-2-one;hydrochloride |
| InChI | InChI=1S/C12H13FN2O2.ClH/c13-8-1-2-10-11(7-8)17-12(16)15(10)9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H |
| InChI Key | GFCBVHIRPGZOQP-UHFFFAOYSA-N |
| MDL Number | MFCD16620950 |
| Molecular Formula | C12H14ClFN2O2 |
| Molecular Weight | 272.7032 |
| SMILES | C1CNCCC1N2C3=C(C=C(C=C3)F)OC2=O.Cl |
| Synonyms | 6-Fluoro-3-(piperidin-4-yl)benzo[d]oxazol-2(3H)-one HCl,
1134819-90-1,
6-Fluoro-3-(piperidin-4-yl)benzo[d]oxazol-2(3H)-one hydrochloride,
609837-18-5,
GFCBVHIRPGZOQP-UHFFFAOYSA-N,
MFCD16620950,
6-fluoro-3-(4-piperidinyl)-1,3-benzoxazol-2(3H)-one hydrochloride,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.704g/mol |
| Monoisotopic Mass | 272.073g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number