| CAS Number | 2097068-68-1 |
| Catalog Number | AG00ILCK(AGN-PC-0WG3H2) |
| Chemical Name | Methyl 1-{[(tert-butoxy)carbonyl]amino}-3,3-difluorocyclobutane-1-carboxylate |
| IUPAC Name | methyl 3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate |
| InChI | InChI=1S/C11H17F2NO4/c1-9(2,3)18-8(16)14-10(7(15)17-4)5-11(12,13)6-10/h5-6H2,1-4H3,(H,14,16) |
| InChI Key | JWPHQDJXYNTLLT-UHFFFAOYSA-N |
| MDL Number | MFCD30719366 |
| Molecular Formula | C11H17F2NO4 |
| Molecular Weight | 265.2538 |
| SMILES | COC(=O)C1(NC(=O)OC(C)(C)C)CC(C1)(F)F |
| Synonyms | Methyl 1-{[(tert-butoxy)carbonyl]amino}-3,3-difluorocyclobutane-1-carboxylate,
2097068-68-1,
ZINC575629125,
AS-54268,
CS-0049257,
methyl 1-{[(tert-butoxy)carbonyl]amino-3,3-difluorocyclobutane-1-carboxylate,
na,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.257g/mol |
| Monoisotopic Mass | 265.113g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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