| CAS Number | 1391733-30-4 |
| Catalog Number | AG019EYQ(AGN-PC-0WG478) |
| Chemical Name | Benzyl 7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane-3-carboxylate |
| IUPAC Name | benzyl 7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane-3-carboxylate |
| InChI | InChI=1S/C15H17F2NO2/c1-14-10-18(8-7-12(14)15(14,16)17)13(19)20-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3 |
| InChI Key | QGSWWKRTZLCXSW-UHFFFAOYSA-N |
| MDL Number | MFCD23378517 |
| Molecular Formula | C15H17F2NO2 |
| Molecular Weight | 281.2978 |
| SMILES | CC12CN(CCC1C2(F)F)C(=O)OCc1ccccc1 |
| Synonyms | 1391733-30-4,
Benzyl 7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane-3-carboxylate,
benzyl 7,7-difluoro-6-methyl-4-azabicyclo[4.1.0]heptane-4-carboxylate,
SCHEMBL14157143,
MFCD23378517,
CS-0038606,
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| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.303g/mol |
| Monoisotopic Mass | 281.123g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number