| CAS Number | 1221448-69-6 |
| Catalog Number | AG0016UL(AGN-PC-0J0YEB) |
| Chemical Name | (4-{[(Benzyloxy)carbonyl](ethyl)amino}phenyl)boronic acid |
| IUPAC Name | [4-[ethyl(phenylmethoxycarbonyl)amino]phenyl]boronic acid |
| InChI | InChI=1S/C16H18BNO4/c1-2-18(15-10-8-14(9-11-15)17(20)21)16(19)22-12-13-6-4-3-5-7-13/h3-11,20-21H,2,12H2,1H3 |
| InChI Key | ZQSANIXVXNVIRM-UHFFFAOYSA-N |
| MDL Number | MFCD21609545 |
| Molecular Formula | C16H18BNO4 |
| Molecular Weight | 299.1294 |
| SMILES | CCN(C1=CC=C(B(O)O)C=C1)C(OCC2=CC=CC=C2)=O |
| Synonyms | 1221448-69-6,
(4-(((Benzyloxy)carbonyl)(ethyl)amino)phenyl)boronic acid,
(4-{[(Benzyloxy)carbonyl](ethyl)amino}phenyl)boronic acid,
CTK8C5253,
DTXSID20743967,
4217AA,
ANW-74915,
MFCD21609545,
ZINC169964808,
AX8243357,
TC-163660,
V9958,
B-9072,
(4-(((Benzyloxy)carbonyl)(ethyl)-amino)phenyl)boronic acid,
C16H18BNO4,
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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 | 299.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.133g/mol |
| Monoisotopic Mass | 299.133g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 70A^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