| CAS Number | 874219-58-6 |
| Catalog Number | AG008DKG(AGN-PC-0AC0ZA) |
| Chemical Name | 3-(Benzyloxycarbonylamino)-4-fluorophenylboronic acid |
| IUPAC Name | [4-fluoro-3-(phenylmethoxycarbonylamino)phenyl]boronic acid |
| InChI | InChI=1S/C14H13BFNO4/c16-12-7-6-11(15(19)20)8-13(12)17-14(18)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18) |
| InChI Key | IKYWKFFZZURZER-UHFFFAOYSA-N |
| MDL Number | MFCD19237159 |
| Molecular Formula | C14H13BFNO4 |
| Molecular Weight | 289.0667 |
| SMILES | FC1=CC=C(B(O)O)C=C1NC(OCC2=CC=CC=C2)=O |
| Synonyms | 874219-58-6,
(3-(((Benzyloxy)carbonyl)amino)-4-fluorophenyl)boronic acid,
3-(Benzyloxycarbonylamino)-4-fluorophenylboronic acid,
(3-{[(Benzyloxy)carbonyl]amino}-4-fluorophenyl)boronic acid,
ACMC-209qli,
CTK8B2531,
DTXSID50716588,
ANW-38740,
MFCD19237159,
AKOS015893101,
ZINC169746222,
FCH2779668,
PC412122,
AX8229976,
TC-127485,
ST24020306,
V8446,
A-2813,
I04-2158,
C14H13BFNO4,
(3-(((Benzyloxy)carbonyl)amino)-4-fluorophenyl)boronicacid,
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| 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
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Certificate of Analysis
Lot Number