| CAS Number | 2096330-15-1 |
| Catalog Number | AG01EHFW |
| Chemical Name | 2-Dibromomethyl-5-nitrophenylboronic acid, pinacol ester |
| IUPAC Name | 2-[2-(dibromomethyl)-5-nitrophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H16BBr2NO4/c1-12(2)13(3,4)21-14(20-12)10-7-8(17(18)19)5-6-9(10)11(15)16/h5-7,11H,1-4H3 |
| InChI Key | GWLMJCWSGOOACM-UHFFFAOYSA-N |
| MDL Number | MFCD19981555 |
| Molecular Formula | C13H16BBr2NO4 |
| Molecular Weight | 420.8894 |
| SMILES | O=[N+](C1=CC=C(C(Br)Br)C(B2OC(C)(C)C(C)(C)O2)=C1)[O-] |
| Synonyms | 2-Dibromomethyl-5-nitrophenylboronic acid, pinacol ester,
2096330-15-1,
2-(2-(Dibromomethyl)-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD19981555,
ZINC169955914,
B-8908,
N/A,
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| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 420.892g/mol |
| Monoisotopic Mass | 418.954g/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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