| CAS Number | 678991-14-5 |
| Catalog Number | AG01EKCE |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-[3-(trifluoromethyl)phenyl]acetic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid |
| InChI | InChI=1S/C24H18F3NO4/c25-24(26,27)15-7-5-6-14(12-15)21(22(29)30)28-23(31)32-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20-21H,13H2,(H,28,31)(H,29,30) |
| InChI Key | ZEOKRQSOCRHGCY-UHFFFAOYSA-N |
| MDL Number | MFCD31559675 |
| Molecular Formula | C24H18F3NO4 |
| Molecular Weight | 441.3992 |
| SMILES | OC(C(C1=CC(C(F)(F)F)=CC=C1)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)=O |
| Synonyms | 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-[3-(trifluoromethyl)phenyl]acetic acid,
678991-14-5,
|
| Complexity | 663 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 441.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 441.406g/mol |
| Monoisotopic Mass | 441.119g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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