| CAS Number | 1260608-92-1 |
| Catalog Number | AG01C0LF |
| Chemical Name | (2R)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-2-(3-fluorophenyl)acetic acid |
| IUPAC Name | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(3-fluorophenyl)acetic acid |
| InChI | InChI=1S/C23H18FNO4/c24-15-7-5-6-14(12-15)21(22(26)27)25-23(28)29-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20-21H,13H2,(H,25,28)(H,26,27)/t21-/m1/s1 |
| InChI Key | CNPGWCADGCJCRS-OAQYLSRUSA-N |
| MDL Number | MFCD07371711 |
| Molecular Formula | C23H18FNO4 |
| Molecular Weight | 391.3917 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](C(=O)O)C1=CC(=CC=C1)F |
| Synonyms | 1260608-92-1,
ZINC44198365,
AB32749,
(R)-[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)]-(3-FLUORO-PHENYL)-ACETIC ACID,
(R)-[(9H-Fluoren-9-ylmethoxycarbonylamino)]-(3-fluoro-phenyl)-acetic acid, AldrichCPR,
(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(3-fluorophenyl)acetic acid,
|
| Complexity | 577 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 391.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 391.398g/mol |
| Monoisotopic Mass | 391.122g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number