| CAS Number | 874290-58-1 |
| Catalog Number | AG003BXG(AGN-PC-07XTYA) |
| Chemical Name | 5-(Cbz-amino)-2-fluorophenylboronic acid |
| IUPAC Name | [2-fluoro-5-(phenylmethoxycarbonylamino)phenyl]boronic acid |
| InChI | InChI=1S/C14H13BFNO4/c16-13-7-6-11(8-12(13)15(19)20)17-14(18)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18) |
| InChI Key | ZRPHZGSBDFAFOX-UHFFFAOYSA-N |
| MDL Number | MFCD12913935 |
| Molecular Formula | C14H13BFNO4 |
| Molecular Weight | 289.0667 |
| SMILES | FC1=CC=C(NC(OCC2=CC=CC=C2)=O)C=C1B(O)O |
| Synonyms | 874290-58-1,
(5-(((Benzyloxy)carbonyl)amino)-2-fluorophenyl)boronic acid,
5-(BENZYLOXYCARBONYLAMINO)-2-FLUOROPHENYLBORONIC ACID,
(5-{[(Benzyloxy)carbonyl]amino}-2-fluorophenyl)boronic acid,
ACMC-209qmx,
CTK5F8434,
DTXSID80674566,
ANW-38791,
AKOS015839291,
ZINC169746225,
FCH2809087,
RTR-027451,
PC412123,
AX8229981,
TR-027451,
ST24020583,
V8476,
B-4969,
I04-2159,
C14H13BFNO4,
(5-(((Benzyloxy)carbonyl)amino)-2-fluorophenyl)boronicacid,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.069g/mol |
| Monoisotopic Mass | 289.092g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number