| CAS Number | 1402615-44-4 |
| Catalog Number | AG00HVSO(AGN-PC-0WQWW9) |
| Chemical Name | 4-Nitro-3-trifluoromethylphenylboronic acid, pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[4-nitro-3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H15BF3NO4/c1-11(2)12(3,4)22-14(21-11)8-5-6-10(18(19)20)9(7-8)13(15,16)17/h5-7H,1-4H3 |
| InChI Key | WVWAKGQBFGQJNS-UHFFFAOYSA-N |
| MDL Number | MFCD16996361 |
| Molecular Formula | C13H15BF3NO4 |
| Molecular Weight | 317.0687 |
| SMILES | [O-][N+](=O)c1ccc(cc1C(F)(F)F)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 4-Nitro-3-trifluoromethylphenylboronic acid, pinacol ester,
1402615-44-4,
MFCD16996361,
MB20585,
4,4,5,5-TETRAMETHYL-2-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE,
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| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.071g/mol |
| Monoisotopic Mass | 317.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number