| CAS Number | 1431470-48-2 |
| Catalog Number | AG009BS1(AGN-PC-0WA6PM) |
| Chemical Name | 2-Fluoro-5-(dimethylaminomethyl)phenylboronic acid pinacol ester |
| IUPAC Name | 1-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine |
| InChI | InChI=1S/C15H23BFNO2/c1-14(2)15(3,4)20-16(19-14)12-9-11(10-18(5)6)7-8-13(12)17/h7-9H,10H2,1-6H3 |
| InChI Key | WMMHWBVAEMEASZ-UHFFFAOYSA-N |
| MDL Number | MFCD18434439 |
| Molecular Formula | C15H23BFNO2 |
| Molecular Weight | 279.1580 |
| SMILES | CN(CC1=CC(B2OC(C)(C)C(C)(C)O2)=C(F)C=C1)C |
| Synonyms | 1431470-48-2,
2-Fluoro-5-(dimethylaminomethyl)phenylboronic acid pinacol ester,
1-(4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-N,N-dimethylmethanamine,
MFCD18434439,
AKOS017552653,
ZINC169935487,
A-3435,
{[4-fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}dimethylamine,
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| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.162g/mol |
| Monoisotopic Mass | 279.181g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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