| CAS Number | 332121-91-2 |
| Catalog Number | AG01BK38(AGN-PC-0WC23W) |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-methylbenzoic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylbenzoic acid |
| InChI | InChI=1S/C23H19NO4/c1-14-10-11-21(19(12-14)22(25)26)24-23(27)28-13-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20H,13H2,1H3,(H,24,27)(H,25,26) |
| InChI Key | LUZFNFRMORUWNG-UHFFFAOYSA-N |
| MDL Number | MFCD02682222 |
| Molecular Formula | C23H19NO4 |
| Molecular Weight | 373.4013 |
| SMILES | CC1=CC(C(O)=O)=C(NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)C=C1 |
| Synonyms | 332121-91-2,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-methylbenzoic acid,
SCHEMBL3199951,
CTK8F9875,
ZINC2582972,
AKOS012711714,
Fmoc-2-amino-5-methylbenzoic acid, AldrichCPR,
Fmoc-2-amino-5-methylbenzoic acid,
N/A,
|
| Complexity | 557 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 373.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.408g/mol |
| Monoisotopic Mass | 373.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number