| CAS Number | 2096332-16-8 |
| Catalog Number | AG01EHDX |
| Chemical Name | 4-(N,N-Dimethylaminomethyl)-3-fluorophenylboronic acid, pinacol ester, HCl |
| IUPAC Name | 1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine;hydrochloride |
| InChI | InChI=1S/C15H23BFNO2.ClH/c1-14(2)15(3,4)20-16(19-14)12-8-7-11(10-18(5)6)13(17)9-12;/h7-9H,10H2,1-6H3;1H |
| InChI Key | MRPMMYAKEVQQJD-UHFFFAOYSA-N |
| MDL Number | MFCD20441914 |
| Molecular Formula | C15H24BClFNO2 |
| Molecular Weight | 315.6190 |
| SMILES | CN(C)CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1F.[H]Cl |
| Synonyms | 2096332-16-8,
4-(N,N-Dimethylaminomethyl)-3-fluorophenylboronic acid, pinacol ester, HCl,
1-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-N,N-dimethylmethanamine hydrochloride,
MFCD20441914,
AKOS027365261,
4-(N,N-Dimethylaminomethyl)-3-fluorophenylboronic acid, pinacol ester hydrochloride,
N/A,
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| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.62g/mol |
| Monoisotopic Mass | 315.157g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.7A^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