| CAS Number | 2096334-69-7 |
| Catalog Number | AG01EHF2 |
| Chemical Name | 2-(N-Methylaminomethyl)-5-fluorophenylboronic acid, pinacol ester |
| IUPAC Name | 1-[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methylmethanamine |
| InChI | InChI=1S/C14H21BFNO2/c1-13(2)14(3,4)19-15(18-13)12-8-11(16)7-6-10(12)9-17-5/h6-8,17H,9H2,1-5H3 |
| InChI Key | HXKMEAWDBRQUJO-UHFFFAOYSA-N |
| MDL Number | MFCD18311902 |
| Molecular Formula | C14H21BFNO2 |
| Molecular Weight | 265.1314 |
| SMILES | FC1=CC=C(CNC)C(B2OC(C)(C)C(C)(C)O2)=C1 |
| Synonyms | 2-(N-Methylaminomethyl)-5-fluorophenylboronic acid, pinacol ester,
2096334-69-7,
1-(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-N-methylmethanamine,
MFCD18311902,
ZINC169936640,
B-9507,
N/A,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.135g/mol |
| Monoisotopic Mass | 265.165g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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