| CAS Number | 1939174-71-6 |
| Catalog Number | AG00I31F(AGN-PC-0WR00M) |
| Chemical Name | 4-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole |
| IUPAC Name | 4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole |
| InChI | InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)8-5-10(15)9-7-16-17-11(9)6-8/h5-7H,1-4H3,(H,16,17) |
| InChI Key | ZNKLIKIJYRVENU-UHFFFAOYSA-N |
| MDL Number | MFCD22201105 |
| Molecular Formula | C13H16BClN2O2 |
| Molecular Weight | 278.5423 |
| SMILES | ClC1=C2C=NNC2=CC(=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole,
1939174-71-6,
ZINC170008297,
Z-6437,
N/A,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.543g/mol |
| Monoisotopic Mass | 278.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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