| CAS Number | 1403483-75-9 |
| Catalog Number | AG009X1U(AGN-PC-0WACKL) |
| Chemical Name | Benzyl N-[1-(4-fluorophenyl)cyclobutyl]carbamate |
| IUPAC Name | benzyl N-[1-(4-fluorophenyl)cyclobutyl]carbamate |
| InChI | InChI=1S/C18H18FNO2/c19-16-9-7-15(8-10-16)18(11-4-12-18)20-17(21)22-13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H,20,21) |
| InChI Key | JTYTXASPXHGVMP-UHFFFAOYSA-N |
| MDL Number | MFCD22549318 |
| Molecular Formula | C18H18FNO2 |
| Molecular Weight | 299.3394 |
| SMILES | O=C(NC1(CCC1)c1ccc(cc1)F)OCc1ccccc1 |
| Synonyms | BENZYL N-[1-(4-FLUOROPHENYL)CYCLOBUTYL]CARBAMATE,
1403483-75-9,
KM3824,
ZINC95217951,
V3071,
C18H18FNO2,
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| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.345g/mol |
| Monoisotopic Mass | 299.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number