| CAS Number | 1218791-00-4 |
| Catalog Number | AG009IPP(AGN-PC-0WABVD) |
| Chemical Name | 6-bromoindole-2-boronic acid pinacol ester |
| IUPAC Name | 6-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)12-7-9-5-6-10(16)8-11(9)17-12/h5-8,17H,1-4H3 |
| InChI Key | BTDQQZKRCOKCTM-UHFFFAOYSA-N |
| MDL Number | MFCD11858393 |
| Molecular Formula | C14H17BBrNO2 |
| Molecular Weight | 322.0053 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)c2cc3ccc(cc3[nH]2)Br |
| Synonyms | 1218791-00-4,
6-Bromoindole-2-boronic acid pinacol ester,
6-BROMO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE,
6-BROMO-1H-INDOLE-2-BORONIC ACID PINACOL ESTER,
DTXSID60681935,
MFCD11858393,
AKOS022183976,
ZINC169935435,
FCH2840466,
MB10222,
AK-85037,
OR360786,
X1745,
A-4686,
C14H17BBrNO2,
BTDQQZKRCOKCTM-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