| CAS Number | 1381944-53-1 |
| Catalog Number | AG00186S(AGN-PC-0J0YEE) |
| Chemical Name | Methyl 3-(4-Cbz-aminophenyl)-4-fluorobenzoate |
| IUPAC Name | methyl 4-fluoro-3-[4-(phenylmethoxycarbonylamino)phenyl]benzoate |
| InChI | InChI=1S/C22H18FNO4/c1-27-21(25)17-9-12-20(23)19(13-17)16-7-10-18(11-8-16)24-22(26)28-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,26) |
| InChI Key | MPOOGJWTNXITSO-UHFFFAOYSA-N |
| MDL Number | MFCD22375074 |
| Molecular Formula | C22H18FNO4 |
| Molecular Weight | 379.3810 |
| SMILES | COC(=O)c1ccc(c(c1)c1ccc(cc1)NC(=O)OCc1ccccc1)F |
| Synonyms | 1381944-53-1,
Methyl 4'-(((benzyloxy)carbonyl)amino)-6-fluoro-[1,1'-biphenyl]-3-carboxylate,
ANW-74920,
MFCD22375074,
ZINC85210204,
AJ-126480,
AX8243345,
TC-163665,
V2826,
B-8938,
[1,1'-Biphenyl]-3-carboxylic acid, 6-fluoro-4'-[[(phenylmethoxy)carbonyl]amino]-, methyl ester,
C22H18FNO4,
Methyl 3-(4-Cbz-aminophenyl)-4-fluorobenzoate,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number