| CAS Number | 1185486-21-8 |
| Catalog Number | AG00J10P(AGN-PC-0WRAL8) |
| Chemical Name | 2-(Piperidin-3-yl)benzo[d]oxazole 2,2,2-trifluoroacetate |
| IUPAC Name | 2-piperidin-3-yl-1,3-benzoxazole;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C12H14N2O.C2HF3O2/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9;3-2(4,5)1(6)7/h1-2,5-6,9,13H,3-4,7-8H2;(H,6,7) |
| InChI Key | JLKQJMZMNUFITE-UHFFFAOYSA-N |
| MDL Number | MFCD07781048 |
| Molecular Formula | C14H15F3N2O3 |
| Molecular Weight | 316.2757 |
| SMILES | C1(C2CCCNC2)OC2=CC=CC=C2N=1.C(F)(F)(F)C(O)=O |
| Synonyms | 1185486-21-8,
2-(Piperidin-3-yl)benzo[d]oxazole 2,2,2-trifluoroacetate,
ZX-CM002420,
MFCD07781048,
MCULE-5338576348,
2-(3-Piperidinyl)-1,3-benzoxazoletrifluoroacetate,
2-(3-piperidinyl)-1,3-benzoxazole trifluoroacetate,
2-Piperidin-3-yl-1,3-benzoxazole trifluoroacetate, AldrichCPR,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.28g/mol |
| Monoisotopic Mass | 316.103g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number