| CAS Number | 1269055-85-7 |
| Catalog Number | AG009CL0(AGN-PC-0WALS3) |
| Chemical Name | BenzaMide, 4-(4-ethyl-5-fluoro-2-hydroxyphenoxy)-3-fluoro- |
| IUPAC Name | 4-(4-ethyl-5-fluoro-2-hydroxyphenoxy)-3-fluorobenzamide |
| InChI | InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20) |
| InChI Key | QUHARGDBJJUOEB-UHFFFAOYSA-N |
| MDL Number | MFCD25977011 |
| Molecular Formula | C15H13F2NO3 |
| Molecular Weight | 293.2654 |
| SMILES | C1C(O)=C(OC2C(F)=CC(C(=O)N)=CC=2)C=C(F)C=1CC |
| UNII | B52RPV7VRM |
| Synonyms | MUT056399,
MUT056399,
1269055-85-7,
UNII-B52RPV7VRM,
B52RPV7VRM,
4-(4-ethyl-5-fluoro-2-hydroxyphenoxy)-3-fluorobenzamide,
CHEMBL2178284,
Benzamide, 4-(4-ethyl-5-fluoro-2-hydroxyphenoxy)-3-fluoro-,
MUT-056399,
FAB-001,
FAB001,
SCHEMBL1498707,
QUHARGDBJJUOEB-UHFFFAOYSA-N,
BCP24828,
BDBM50399407,
ZINC43207055,
CS-5339,
HY-18169,
Benzamide,4-(4-ethyl-5-fluoro-2-hydroxyphenoxy)-3-fluoro-,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.27g/mol |
| Monoisotopic Mass | 293.086g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number