| CAS Number | 1881295-90-4 |
| Catalog Number | AG00I2A3(AGN-PC-0WR6WD) |
| Chemical Name | 4'-(Cbz-Amino)-2-cyano-3-fluorobiphenyl |
| IUPAC Name | benzyl N-[4-(2-cyano-3-fluorophenyl)phenyl]carbamate |
| InChI | InChI=1S/C21H15FN2O2/c22-20-8-4-7-18(19(20)13-23)16-9-11-17(12-10-16)24-21(25)26-14-15-5-2-1-3-6-15/h1-12H,14H2,(H,24,25) |
| InChI Key | VNINDBGOPMMXMT-UHFFFAOYSA-N |
| MDL Number | MFCD29059802 |
| Molecular Formula | C21H15FN2O2 |
| Molecular Weight | 346.3544 |
| SMILES | N#Cc1c(F)cccc1c1ccc(cc1)NC(=O)OCc1ccccc1 |
| Synonyms | 1881295-90-4,
Benzyl (2'-cyano-3'-fluoro-[1,1'-biphenyl]-4-yl)carbamate,
ZINC261494349,
4'-(Cbz-Amino)-2-cyano-3-fluorobiphenyl,
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| Complexity | 503 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.361g/mol |
| Monoisotopic Mass | 346.112g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number