| CAS Number | 1956306-91-4 |
| Catalog Number | AG01DHTB |
| Chemical Name | benzyl N-(3,3-difluorocyclobutyl)-N-methylcarbamate |
| IUPAC Name | benzyl N-(3,3-difluorocyclobutyl)-N-methylcarbamate |
| InChI | InChI=1S/C13H15F2NO2/c1-16(11-7-13(14,15)8-11)12(17)18-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3 |
| InChI Key | XTSDVFJSXZJYDM-UHFFFAOYSA-N |
| MDL Number | MFCD29917116 |
| Molecular Formula | C13H15F2NO2 |
| Molecular Weight | 255.2605 |
| SMILES | CN(C1CC(F)(F)C1)C(=O)OCc1ccccc1 |
| Synonyms | Benzyl (3,3-difluorocyclobutyl)(methyl)carbamate,
1956306-91-4,
MFCD29917116,
ZINC306145250,
TZ001159,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.265g/mol |
| Monoisotopic Mass | 255.107g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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