| CAS Number | 1029439-59-5 |
| Catalog Number | AG01FKZY(AGN-PC-3H4B16) |
| Chemical Name | (4-((3,4-dihydroquinolin-1(2H)-yl)methyl)phenyl)boronic acid |
| IUPAC Name | [4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]boronic acid |
| InChI | InChI=1S/C16H18BNO2/c19-17(20)15-9-7-13(8-10-15)12-18-11-3-5-14-4-1-2-6-16(14)18/h1-2,4,6-10,19-20H,3,5,11-12H2 |
| InChI Key | RSHIIKLHMGRVDA-UHFFFAOYSA-N |
| MDL Number | MFCD31916477 |
| Molecular Formula | C16H18BNO2 |
| Molecular Weight | 267.1306 |
| SMILES | C(N1c2c(CCC1)cccc2)c1ccc(cc1)B(O)O |
| Synonyms | 1029439-59-5,
SCHEMBL257898,
AKOS010796423,
AS-55528,
(4-((3,4-dihydroquinolin-1(2H)-yl)methyl)phenyl)boronic acid,
{4-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]phenyl}boronic acid,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.135g/mol |
| Monoisotopic Mass | 267.143g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.7A^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