| CAS Number | 2096329-63-2 |
| Catalog Number | AG01EHC0 |
| Chemical Name | (4-BOC-Amino)-2,5-dimethylphenylboronic acid |
| IUPAC Name | [2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid |
| InChI | InChI=1S/C13H20BNO4/c1-8-7-11(9(2)6-10(8)14(17)18)15-12(16)19-13(3,4)5/h6-7,17-18H,1-5H3,(H,15,16) |
| InChI Key | IRTMEXWRJSQXPE-UHFFFAOYSA-N |
| MDL Number | MFCD19684103 |
| Molecular Formula | C13H20BNO4 |
| Molecular Weight | 265.1132 |
| SMILES | OB(c1cc(C)c(cc1C)NC(=O)OC(C)(C)C)O |
| Synonyms | (4-BOC-Amino)-2,5-dimethylphenylboronic acid,
2096329-63-2,
(4-((tert-Butoxycarbonyl)amino)-2,5-dimethylphenyl)boronic acid,
MFCD19684103,
AKOS027364178,
ZINC169955219,
V9959,
B-9013,
C13H20BNO4,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.116g/mol |
| Monoisotopic Mass | 265.149g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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