| CAS Number | 728919-94-6 |
| Catalog Number | AG01EKCF |
| Chemical Name | 3-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-3-(4-TRIFLUOROMETHYL-PHENYL)-PROP+ |
| IUPAC Name | 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid |
| InChI | InChI=1S/C25H20F3NO4/c26-25(27,28)16-11-9-15(10-12-16)22(13-23(30)31)29-24(32)33-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31) |
| InChI Key | CUOIPSCYWJDJNE-UHFFFAOYSA-N |
| MDL Number | MFCD04117494 |
| Molecular Formula | C25H20F3NO4 |
| Molecular Weight | 455.4258 |
| SMILES | O=C(O)CC(NC(OCC1C2=CC=CC=C2C3=CC=CC=C13)=O)C4=CC=C(C(F)(F)F)C=C4 |
| Synonyms | 728919-94-6,
AC1MBZVS,
SCHEMBL2310353,
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid,
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid,
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic Acid,
3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid,
3-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-3-(4-TRIFLUOROMETHYL-PHENYL)-PROP+,
CID2759206,
517905-88-3,
(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid,
507472-21-1,
3-(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-trifluoromethyl-phenyl)-propanoic acid,
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid,
|
| Complexity | 670 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 455.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 455.433g/mol |
| Monoisotopic Mass | 455.134g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number