| CAS Number | 1381944-37-1 |
| Catalog Number | AG00185S(AGN-PC-0J0YEF) |
| Chemical Name | Methyl 3-[(4-Cbz-amino)phenyl]-2-fluorobenzoate |
| IUPAC Name | methyl 2-fluoro-3-[4-(phenylmethoxycarbonylamino)phenyl]benzoate |
| InChI | InChI=1S/C22H18FNO4/c1-27-21(25)19-9-5-8-18(20(19)23)16-10-12-17(13-11-16)24-22(26)28-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,24,26) |
| InChI Key | SWFHSVRZULQPEA-UHFFFAOYSA-N |
| MDL Number | MFCD22375049 |
| Molecular Formula | C22H18FNO4 |
| Molecular Weight | 379.3810 |
| SMILES | COC(=O)c1cccc(c1F)c1ccc(cc1)NC(=O)OCc1ccccc1 |
| Synonyms | 1381944-37-1,
Methyl 4'-(((benzyloxy)carbonyl)amino)-2-fluoro-[1,1'-biphenyl]-3-carboxylate,
Methyl 3-[(4-Cbz-amino)phenyl]-2-fluorobenzoate,
CTK8C5255,
DTXSID40743969,
ANW-74921,
MFCD22375049,
ZINC85210202,
AJ-126479,
AX8243344,
TC-163666,
V2812,
B-8663,
Methyl 4'-{[(benzyloxy)carbonyl]amino}-2-fluoro[1,1'-biphenyl]-3-carboxylate,
[1,1'-Biphenyl]-3-carboxylic acid, 2-fluoro-4'-[[(phenylmethoxy)carbonyl]amino]-, methyl ester,
C22H18FNO4,
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| Complexity | 515 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.387g/mol |
| Monoisotopic Mass | 379.122g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
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