| CAS Number | 1420800-27-6 |
| Catalog Number | AG009WSS(AGN-PC-0WADTY) |
| Chemical Name | Methyl 3-[4-(dimethylcarbamoyl)phenyl]-4-fluorobenzoate |
| IUPAC Name | methyl 3-[4-(dimethylcarbamoyl)phenyl]-4-fluorobenzoate |
| InChI | InChI=1S/C17H16FNO3/c1-19(2)16(20)12-6-4-11(5-7-12)14-10-13(17(21)22-3)8-9-15(14)18/h4-10H,1-3H3 |
| InChI Key | DFHFIBPBRMTFFN-UHFFFAOYSA-N |
| MDL Number | MFCD22689103 |
| Molecular Formula | C17H16FNO3 |
| Molecular Weight | 301.3122 |
| SMILES | COC(=O)c1ccc(c(c1)c1ccc(cc1)C(=O)N(C)C)F |
| Synonyms | Methyl 3-[4-(dimethylcarbamoyl)phenyl]-4-fluorobenzoate,
1420800-27-6,
ZINC95217999,
V3151,
C17H16FNO3,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.317g/mol |
| Monoisotopic Mass | 301.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number