| CAS Number | 2096336-45-5 |
| Catalog Number | AG01EHJ3 |
| Chemical Name | 3-nitro-4-(trifluoromethoxy)phenylboronic acid, pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[3-nitro-4-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H15BF3NO5/c1-11(2)12(3,4)23-14(22-11)8-5-6-10(21-13(15,16)17)9(7-8)18(19)20/h5-7H,1-4H3 |
| InChI Key | YISMCLGNSYJEMO-UHFFFAOYSA-N |
| MDL Number | MFCD21333035 |
| Molecular Formula | C13H15BF3NO5 |
| Molecular Weight | 333.0681 |
| SMILES | FC(F)(F)OC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1[N+]([O-])=O |
| Synonyms | 3-nitro-4-(trifluoromethoxy)phenylboronic acid, pinacol ester,
2096336-45-5,
4,4,5,5-Tetramethyl-2-(3-nitro-4-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane,
MFCD21333035,
ZINC169965037,
B-9262,
N/A,
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| Complexity | 450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.07g/mol |
| Monoisotopic Mass | 333.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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