| CAS Number | 723245-50-9 |
| Catalog Number | AG019VID |
| Chemical Name | 3-{[(4-fluorophenyl)carbamoyl]methoxy}benzoic acid |
| IUPAC Name | 3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid |
| InChI | InChI=1S/C15H12FNO4/c16-11-4-6-12(7-5-11)17-14(18)9-21-13-3-1-2-10(8-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20) |
| InChI Key | JVQKBINYWGCYFM-UHFFFAOYSA-N |
| MDL Number | MFCD05739851 |
| Molecular Formula | C15H12FNO4 |
| Molecular Weight | 289.2585 |
| SMILES | OC(C1=CC(OCC(NC2=CC=C(F)C=C2)=O)=CC=C1)=O |
| Synonyms | 3-{[(4-fluorophenyl)carbamoyl]methoxy}benzoic acid,
723245-50-9,
CTK7G5590,
ZINC479880,
STL417456,
AKOS000152195,
MCULE-2607862930,
NE60171,
EN300-45316,
3-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzoic acid,
AC1LIAC8,
AC1Q733F,
CID900818,
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid,
AH-487/42820116,
3-([(4-fluorophenyl)carbamoyl]methoxy)benzoic acid,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.075036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.26g/mol |
| Monoisotopic Mass | 289.075036g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number