| CAS Number | 1071446-05-3 |
| Catalog Number | AG009KD8(AGN-PC-0WBOKQ) |
| Chemical Name | 3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-aminobenzoic acid |
| IUPAC Name | 4-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid |
| InChI | InChI=1S/C22H18N2O4/c23-19-10-9-13(21(25)26)11-20(19)24-22(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18H,12,23H2,(H,24,27)(H,25,26) |
| InChI Key | LRLZBKSOHQLVRG-UHFFFAOYSA-N |
| MDL Number | MFCD22989433 |
| Molecular Formula | C22H18N2O4 |
| Molecular Weight | 374.3893 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NC=1C=C(C(=O)O)C=CC1N |
| Synonyms | 3-Fmoc-4-diaminobenzoic acid,
1071446-05-3,
Fmoc-Dbz,
SCHEMBL14701886,
MFCD22989433,
AKOS030212543,
ZINC108644287,
4-amino-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}benzoic acid,
Benzoic acid, 4-aMino-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-,
3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-aminobenzoic acid,
|
| Complexity | 561 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 374.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.396g/mol |
| Monoisotopic Mass | 374.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number