| CAS Number | 1332336-18-1 |
| Catalog Number | AG01FL80(AGN-PC-3H4B2O) |
| Chemical Name | (2-((3,4-dihydroquinolin-1(2H)-yl)methyl)phenyl)boronic acid |
| IUPAC Name | [2-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]boronic acid |
| InChI | InChI=1S/C16H18BNO2/c19-17(20)15-9-3-1-7-14(15)12-18-11-5-8-13-6-2-4-10-16(13)18/h1-4,6-7,9-10,19-20H,5,8,11-12H2 |
| InChI Key | LNJHWRAUHQAXDP-UHFFFAOYSA-N |
| MDL Number | MFCD27976028 |
| Molecular Formula | C16H18BNO2 |
| Molecular Weight | 267.1306 |
| SMILES | OB(O)C1=CC=CC=C1CN2CCCC3=C2C=CC=C3 |
| Synonyms | 1332336-18-1,
AKOS010796422,
AS-55539,
(2-((3,4-dihydroquinolin-1(2H)-yl)methyl)phenyl)boronic acid,
{2-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]phenyl}boronic acid,
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| Complexity | 313 |
| 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
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Certificate of Analysis
Lot Number