| CAS Number | 939399-53-8 |
| Catalog Number | AG00IHVR(AGN-PC-0WG47N) |
| Chemical Name | Benzyl 3,3-difluorocyclobutylcarbamate |
| IUPAC Name | benzyl N-(3,3-difluorocyclobutyl)carbamate |
| InChI | InChI=1S/C12H13F2NO2/c13-12(14)6-10(7-12)15-11(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16) |
| InChI Key | JVCRFAWXMWHWSR-UHFFFAOYSA-N |
| MDL Number | MFCD26127531 |
| Molecular Formula | C12H13F2NO2 |
| Molecular Weight | 241.2339 |
| SMILES | FC1(F)CC(C1)NC(=O)OCc1ccccc1 |
| Synonyms | benzyl 3,3-difluorocyclobutylcarbamate,
939399-53-8,
Benzyl (3,3-difluorocyclobutyl)carbamate,
benzyl N-(3,3-difluorocyclobutyl)carbamate,
SCHEMBL361720,
MFCD26127531,
ZINC96032460,
CS-0036263,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.238g/mol |
| Monoisotopic Mass | 241.091g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number