| CAS Number | 2091154-19-5 |
| Catalog Number | AG01BKCU |
| Chemical Name | 1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]triazole-4-carboxylic acid |
| InChI | InChI=1S/C23H22N4O4/c28-22(29)21-13-27(25-24-21)15-9-11-26(12-10-15)23(30)31-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,13,15,20H,9-12,14H2,(H,28,29) |
| InChI Key | WBTDIGXOUCZPBM-UHFFFAOYSA-N |
| MDL Number | MFCD31559970 |
| Molecular Formula | C23H22N4O4 |
| Molecular Weight | 418.4452 |
| SMILES | OC(C1N=NN(C2CCN(C(OCC3C4=C(C=CC=C4)C4=C3C=CC=C4)=O)CC2)C=1)=O |
| Synonyms | 1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid,
2091154-19-5,
AKOS033866262,
|
| Complexity | 646 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 418.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 418.453g/mol |
| Monoisotopic Mass | 418.164g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number