| CAS Number | 1421322-60-2 |
| Catalog Number | AG00HWCV(AGN-PC-0WQZYM) |
| Chemical Name | 5-Nitro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| IUPAC Name | 5-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI | InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)9-6-5-8(15(16)17)7-10(9)14/h5-7H,14H2,1-4H3 |
| InChI Key | XGGAIVJBQKIURY-UHFFFAOYSA-N |
| MDL Number | MFCD24040049 |
| Molecular Formula | C12H17BN2O4 |
| Molecular Weight | 264.0854 |
| SMILES | Nc1cc(ccc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-] |
| Synonyms | 5-Nitro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
1421322-60-2,
ZINC170005938,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.088g/mol |
| Monoisotopic Mass | 264.128g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 90.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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