| CAS Number | 1332653-99-2 |
| Catalog Number | AG01FNWX(AGN-PC-3H5NJA) |
| Chemical Name | (5-((3,4-dihydroquinolin-1(2H)-yl)methyl)-2-fluorophenyl)boronic acid |
| IUPAC Name | [5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorophenyl]boronic acid |
| InChI | InChI=1S/C16H17BFNO2/c18-15-8-7-12(10-14(15)17(20)21)11-19-9-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-8,10,20-21H,3,5,9,11H2 |
| InChI Key | IBGVVPMWQGPQCK-UHFFFAOYSA-N |
| MDL Number | MFCD32206417 |
| Molecular Formula | C16H17BFNO2 |
| Molecular Weight | 285.1211 |
| SMILES | N1(CCCC2=CC=CC=C12)CC=1C=CC(=C(C1)B(O)O)F |
| Synonyms | AKOS010796421,
AS-72490,
{2-fluoro-5-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]phenyl}boronic acid,
1332653-99-2,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.133637g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.1g/mol |
| Monoisotopic Mass | 285.133637g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.7Ų |
| 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