| CAS Number | 2096337-86-7 |
| Catalog Number | AG01EHQL |
| Chemical Name | 5-Fluoro-2-aminomethylphenylboronic acid, pinacol ester |
| IUPAC Name | [4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine |
| InChI | InChI=1S/C13H19BFNO2/c1-12(2)13(3,4)18-14(17-12)11-7-10(15)6-5-9(11)8-16/h5-7H,8,16H2,1-4H3 |
| InChI Key | AMRXPDWMJJOIHI-UHFFFAOYSA-N |
| MDL Number | MFCD18730149 |
| Molecular Formula | C13H19BFNO2 |
| Molecular Weight | 251.1049 |
| SMILES | CC1(C(C)(C)OB(C2=C(CN)C=CC(F)=C2)O1)C |
| Synonyms | 2096337-86-7,
5-Fluoro-2-aminomethylphenylboronic acid, pinacol ester,
(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine,
MFCD18730149,
ZINC169964877,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.108g/mol |
| Monoisotopic Mass | 251.149g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5A^2 |
| 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