| CAS Number | 1498333-89-3 |
| Catalog Number | AG01F826(AGN-PC-3H498G) |
| Chemical Name | (9H-Fluoren-9-yl)methyl (pyridin-3-ylmethyl)carbamate |
| IUPAC Name | 9H-fluoren-9-ylmethyl N-(pyridin-3-ylmethyl)carbamate |
| InChI | InChI=1S/C21H18N2O2/c24-21(23-13-15-6-5-11-22-12-15)25-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-12,20H,13-14H2,(H,23,24) |
| InChI Key | HIELIWLCJOQJFQ-UHFFFAOYSA-N |
| MDL Number | MFCD28166170 |
| Molecular Formula | C21H18N2O2 |
| Molecular Weight | 330.3798 |
| SMILES | O=C(OCC1c2ccccc2c2c1cccc2)NCc1cccnc1 |
| Synonyms | 1498333-89-3,
9H-Fluoren-9-ylmethyl N-(pyridin-3-ylmethyl) carbamate,
(9H-Fluoren-9-yl)methyl (pyridin-3-ylmethyl)carbamate,
AKOS027445132,
ZINC219035735,
9H-Fluoren-9-ylmethyl N-(pyridin-3-ylmethyl) carbamate, AldrichCPR,
|
| Complexity | 433 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.387g/mol |
| Monoisotopic Mass | 330.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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