| CAS Number | 1185296-60-9 |
| Catalog Number | AG01AJLM(AGN-PC-0WC23U) |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-fluorobenzoic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-fluorobenzoic acid |
| InChI | InChI=1S/C22H16FNO4/c23-13-9-10-20(18(11-13)21(25)26)24-22(27)28-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19H,12H2,(H,24,27)(H,25,26) |
| InChI Key | WSVXSPJFKVBMET-UHFFFAOYSA-N |
| MDL Number | MFCD02682191 |
| Molecular Formula | C22H16FNO4 |
| Molecular Weight | 377.3651 |
| SMILES | OC(C1=C(NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)C=CC(F)=C1)=O |
| Synonyms | 1185296-60-9,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-fluorobenzoic acid,
ZINC2582941,
AKOS012711757,
MCULE-3680576691,
Z1266874470,
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-fluorobenzoic acid,
Fmoc-2-amino-5-fluorobenzoic acid,
|
| Complexity | 563 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.371g/mol |
| Monoisotopic Mass | 377.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number