| CAS Number | 1072901-59-7 |
| Catalog Number | AG008R5F(AGN-PC-0WC243) |
| Chemical Name | 3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylbenzoic acid |
| IUPAC Name | 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylbenzoic acid |
| InChI | InChI=1S/C23H19NO4/c1-14-10-11-15(22(25)26)12-21(14)24-23(27)28-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-12,20H,13H2,1H3,(H,24,27)(H,25,26) |
| InChI Key | MNLLXICLNDZTOF-UHFFFAOYSA-N |
| MDL Number | MFCD01861379 |
| Molecular Formula | C23H19NO4 |
| Molecular Weight | 373.4013 |
| SMILES | CC1=C(NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)C=C(C(O)=O)C=C1 |
| Synonyms | Fmoc-3-amino-4-methylbenzoic acid,
1072901-59-7,
3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylbenzoic acid,
3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylbenzoic acid,
3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-4-methylbenzoic acid,
SCHEMBL570236,
CTK8F9887,
DTXSID70626574,
ZINC2386127,
8402AC,
AKOS012711584,
BB 0262234,
Fmoc-3-amino-4-methylbenzoic acid, AldrichCPR,
C23H19NO4,
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 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number