| CAS Number | 1256358-97-0 |
| Catalog Number | AG009IPM(AGN-PC-0WAA0Z) |
| Chemical Name | 4-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
| IUPAC Name | 4-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
| InChI | InChI=1S/C14H17BBrNO2/c1-13(2)14(3,4)19-15(18-13)12-8-9-10(16)6-5-7-11(9)17-12/h5-8,17H,1-4H3 |
| InChI Key | LAQMOXKWQOAHNA-UHFFFAOYSA-N |
| MDL Number | MFCD11858385 |
| Molecular Formula | C14H17BBrNO2 |
| Molecular Weight | 322.0053 |
| SMILES | BrC1=C2C=C(NC2=CC=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1256358-97-0,
4-BROMO-1H-INDOLE-2-BORONIC ACID PINACOL ESTER,
4-BROMO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE,
DTXSID80681932,
MFCD11858385,
AKOS022184077,
ZINC169935424,
FCH2840461,
MB10212,
OR360784,
X0412,
A-4684,
4-Bromo-1H-indole-2-boronic acid, pinacol ester,
C14H17BBrNO2,
LAQMOXKWQOAHNA-UHFFFAOYSA-N,
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| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.009g/mol |
| Monoisotopic Mass | 321.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number