| CAS Number | 1415568-78-3 |
| Catalog Number | AG00HW13(AGN-PC-0WR21R) |
| Chemical Name | (2-Amino-3,5-difluorophenyl)boronic acid pinacol ester |
| IUPAC Name | 2,4-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI | InChI=1S/C12H16BF2NO2/c1-11(2)12(3,4)18-13(17-11)8-5-7(14)6-9(15)10(8)16/h5-6H,16H2,1-4H3 |
| InChI Key | RWQROTQGDXTBTD-UHFFFAOYSA-N |
| MDL Number | MFCD28291811 |
| Molecular Formula | C12H16BF2NO2 |
| Molecular Weight | 255.0687 |
| SMILES | FC1=C(N)C(=CC(=C1)F)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1415568-78-3,
(2-Amino-3,5-difluorophenyl)boronic acid pinacol ester,
2,4-Difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
MFCD28291811,
ZINC261508386,
AS-33359,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.072g/mol |
| Monoisotopic Mass | 255.124g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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