| CAS Number | 1704069-72-6 |
| Catalog Number | AG00AR87(AGN-PC-0WCRLY) |
| Chemical Name | (3-((tert-Butoxycarbonyl)amino)-4-fluorophenyl)boronic acid |
| IUPAC Name | [4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid |
| InChI | InChI=1S/C11H15BFNO4/c1-11(2,3)18-10(15)14-9-6-7(12(16)17)4-5-8(9)13/h4-6,16-17H,1-3H3,(H,14,15) |
| InChI Key | PPCCJWGXGNNJOM-UHFFFAOYSA-N |
| MDL Number | MFCD28384250 |
| Molecular Formula | C11H15BFNO4 |
| Molecular Weight | 255.0505 |
| SMILES | OB(c1ccc(c(c1)NC(=O)OC(C)(C)C)F)O |
| Synonyms | (3-((tert-butoxycarbonyl)amino)-4-fluorophenyl)boronic acid,
1704069-72-6,
MFCD28384250,
AKOS025286740,
ZINC217045054,
AM88372,
FCH3160843,
3-(tert-Butoxycarbonylamino)-4-fluorophenylboronic acid,
(3-((t-Butoxycarbonyl)amino)-4-fluorophenyl)boronic acid,
3-(Benzyloxycarbonylamino)-4-fluorophenylboronic acid,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.052g/mol |
| Monoisotopic Mass | 255.108g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number