| CAS Number | 1019384-47-4 |
| Catalog Number | AG01BS8R(AGN-PC-0WC23K) |
| Chemical Name | 2-((tert-Butoxycarbonyl)amino)-4-fluorobenzoic acid |
| IUPAC Name | 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid |
| InChI | InChI=1S/C12H14FNO4/c1-12(2,3)18-11(17)14-9-6-7(13)4-5-8(9)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | WDQLOJRKJMUXDP-UHFFFAOYSA-N |
| MDL Number | MFCD02682188 |
| Molecular Formula | C12H14FNO4 |
| Molecular Weight | 255.2423 |
| SMILES | CC(OC(NC1=C(C(O)=O)C=CC(F)=C1)=O)(C)C |
| Synonyms | 1019384-47-4,
2-((tert-Butoxycarbonyl)amino)-4-fluorobenzoic acid,
2-[(tert-butoxycarbonyl)amino]-4-fluorobenzoic acid,
CTK8F8247,
ZINC2582938,
AKOS000199556,
Boc-2-amino-4-fluorobenzoic acid,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.245g/mol |
| Monoisotopic Mass | 255.091g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number