| CAS Number | 1818847-51-6 |
| Catalog Number | AG002376(AGN-PC-0WNH03) |
| Chemical Name | tert-Butyl ((3-fluoroazetidin-3-yl)methyl)carbamate hydrochloride |
| IUPAC Name | tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride |
| InChI | InChI=1S/C9H17FN2O2.ClH/c1-8(2,3)14-7(13)12-6-9(10)4-11-5-9;/h11H,4-6H2,1-3H3,(H,12,13);1H |
| InChI Key | MCWBATRVKUSBMH-UHFFFAOYSA-N |
| MDL Number | MFCD29060169 |
| Molecular Formula | C9H18ClFN2O2 |
| Molecular Weight | 240.7028 |
| SMILES | Cl.CC(C)(C)OC(=O)NCC1(F)CNC1 |
| Synonyms | 1818847-51-6,
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate hydrochloride,
tert-Butyl n-[(3-fluoroazetidin-3-yl)methyl]carbamate HCl,
tert-Butyl ((3-fluoroazetidin-3-yl)methyl)carbamate hydrochloride,
KS-000007HU,
MFCD29060169,
SB20687,
AS-52758,
CS-0048016,
Carbamic acid, N-[(3-fluoro-3-azetidinyl)methyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1),
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.703g/mol |
| Monoisotopic Mass | 240.104g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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