| CAS Number | 2096329-98-3 |
| Catalog Number | AG01EHO4 |
| Chemical Name | 2-(N-Butylaminomethyl-5-fluorophenylboronic acid, pinacol ester |
| IUPAC Name | N-[[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]butan-1-amine |
| InChI | InChI=1S/C17H27BFNO2/c1-6-7-10-20-12-13-8-9-14(19)11-15(13)18-21-16(2,3)17(4,5)22-18/h8-9,11,20H,6-7,10,12H2,1-5H3 |
| InChI Key | GJEPQRJVLKTPFZ-UHFFFAOYSA-N |
| MDL Number | MFCD18087739 |
| Molecular Formula | C17H27BFNO2 |
| Molecular Weight | 307.2112 |
| SMILES | CCCCNCC1=CC=C(F)C=C1B2OC(C)(C)C(C)(C)O2 |
| Synonyms | 2096329-98-3,
2-(N-Butylaminomethyl-5-fluorophenylboronic acid, pinacol ester,
N-(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)butan-1-amine,
MFCD18087739,
ZINC169936521,
B-9263,
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| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.212g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.216g/mol |
| Monoisotopic Mass | 307.212g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 30.5A^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