| CAS Number | 2096333-96-7 |
| Catalog Number | AG01EHOR |
| Chemical Name | 2-Bromomethyl-5-nitrophenylboronic acid pinacol ester |
| IUPAC Name | 2-[2-(bromomethyl)-5-nitrophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H17BBrNO4/c1-12(2)13(3,4)20-14(19-12)11-7-10(16(17)18)6-5-9(11)8-15/h5-7H,8H2,1-4H3 |
| InChI Key | QXAHEYUNZWPODZ-UHFFFAOYSA-N |
| MDL Number | MFCD20231470 |
| Molecular Formula | C13H17BBrNO4 |
| Molecular Weight | 341.9934 |
| SMILES | BrCC1=C(C=C(C=C1)[N+](=O)[O-])B1OC(C)(C)C(C)(C)O1 |
| Synonyms | 2-Bromomethyl-5-nitrophenylboronic acid, pinacol ester,
2096333-96-7,
2-(2-(Bromomethyl)-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD20231470,
AKOS027357706,
ZINC169955906,
B-8907,
N/A,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.996g/mol |
| Monoisotopic Mass | 341.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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