| CAS Number | 1256360-42-5 |
| Catalog Number | AG009WU0(AGN-PC-0WAA6M) |
| Chemical Name | 4-Chloro-1-methylindole-2-boronic acid, pinacol ester |
| IUPAC Name | 4-chloro-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole |
| InChI | InChI=1S/C15H19BClNO2/c1-14(2)15(3,4)20-16(19-14)13-9-10-11(17)7-6-8-12(10)18(13)5/h6-9H,1-5H3 |
| InChI Key | VUBGUQRJVLABQU-UHFFFAOYSA-N |
| MDL Number | MFCD16995790 |
| Molecular Formula | C15H19BClNO2 |
| Molecular Weight | 291.5809 |
| SMILES | CC1(C)C(C)(C)OB(C(N2C)=CC3=C2C=CC=C3Cl)O1 |
| Synonyms | 1256360-42-5,
4-CHLORO-1-METHYLINDOLE-2-BORONIC ACID, PINACOL ESTER,
4-CHLORO-1-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE,
4-Chloro-1-methylindole-2-boronic acid pinacol ester,
DTXSID80682363,
MFCD16995790,
AKOS022184051,
ZINC169936444,
FCH2776092,
MB19050,
OR360962,
X0478,
B-2925,
C15H19BClNO2,
VUBGUQRJVLABQU-UHFFFAOYSA-N,
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| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.582g/mol |
| Monoisotopic Mass | 291.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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