| CAS Number | 438029-98-2 |
| Catalog Number | AG019GGW |
| Chemical Name | 2-[(3-Trifluoromethyl-phenylcarbamoyl)-methoxy]-benzoic acid |
| IUPAC Name | 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoic acid |
| InChI | InChI=1S/C16H12F3NO4/c17-16(18,19)10-4-3-5-11(8-10)20-14(21)9-24-13-7-2-1-6-12(13)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23) |
| InChI Key | XWGJXKXVKFOJBZ-UHFFFAOYSA-N |
| MDL Number | MFCD03478325 |
| Molecular Formula | C16H12F3NO4 |
| Molecular Weight | 339.2660 |
| SMILES | OC(C1=C(OCC(NC2=CC(C(F)(F)F)=CC=C2)=O)C=CC=C1)=O |
| Synonyms | 2-({[3-(trifluoromethyl)phenyl]carbamoyl}methoxy)benzoic acid,
438029-98-2,
2-[(3-Trifluoromethyl-phenylcarbamoyl)-methoxy]-benzoic acid,
2-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethoxy)benzoic acid,
2-({N-[3-(trifluoromethyl)phenyl]carbamoyl}methoxy)benzoic acid,
AC1MX3NB,
AC1Q72K0,
CTK7G6752,
ZINC3884637,
SBB016545,
AKOS000114582,
MCULE-8530189089,
NE38281,
ST50329598,
EN300-00162,
Z56837045,
F3284-8016,
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoic acid,
CID3759436,
2-[[3-(trifluoromethyl)phenyl]carbamoylmethoxy]benzoic Acid,
|
| Complexity | 455 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.27g/mol |
| Monoisotopic Mass | 339.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number