| CAS Number | 1951439-85-2 |
| Catalog Number | AG00I371(AGN-PC-0WQZWR) |
| Chemical Name | N-Cbz-2-chloro-4-fluoro-3-methylaniline |
| IUPAC Name | benzyl N-(2-chloro-4-fluoro-3-methylphenyl)carbamate |
| InChI | InChI=1S/C15H13ClFNO2/c1-10-12(17)7-8-13(14(10)16)18-15(19)20-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19) |
| InChI Key | JRTLYTZVUVLJLI-UHFFFAOYSA-N |
| MDL Number | MFCD30182400 |
| Molecular Formula | C15H13ClFNO2 |
| Molecular Weight | 293.7206 |
| SMILES | O=C(Nc1ccc(c(c1Cl)C)F)OCc1ccccc1 |
| Synonyms | N-Cbz-2-chloro-4-fluoro-3-methylaniline,
1951439-85-2,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.722g/mol |
| Monoisotopic Mass | 293.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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