| CAS Number | 1310404-85-3 |
| Catalog Number | AG01DV89 |
| Chemical Name | 5-methoxy-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| IUPAC Name | 5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI | InChI=1S/C13H20BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-6-9(16-5)8-11(10)15/h6-8H,15H2,1-5H3 |
| InChI Key | AVWZIIGPVFTKIE-UHFFFAOYSA-N |
| MDL Number | MFCD12025506 |
| Molecular Formula | C13H20BNO3 |
| Molecular Weight | 249.1138 |
| SMILES | COC1=CC(N)=C(B2OC(C)(C)C(C)(C)O2)C=C1 |
| Synonyms | 5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
1310404-85-3,
SCHEMBL15562156,
CS-0088587,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.117g/mol |
| Monoisotopic Mass | 249.154g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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