| CAS Number | 193965-35-4 |
| Catalog Number | AG0074UP(AGN-PC-03782U) |
| Chemical Name | (7-Methoxybenzo[B]Thiophen-2-Yl)Boronic Acid |
| IUPAC Name | (7-methoxy-1-benzothiophen-2-yl)boronic acid |
| InChI | InChI=1S/C9H9BO3S/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5,11-12H,1H3 |
| InChI Key | KRQCXABUOQTMLT-UHFFFAOYSA-N |
| MDL Number | MFCD09952073 |
| Molecular Formula | C9H9BO3S |
| Molecular Weight | 208.0420 |
| SMILES | COC1=CC=CC2=C1SC(=C2)B(O)O |
| Synonyms | 193965-35-4,
(7-Methoxybenzo[b]thiophen-2-yl)boronic acid,
7-Methoxybenzo[B]thiophene-2-boronic acid,
(7-Methoxy-1-benzothiophen-2-yl)boronic acid,
SCHEMBL6715101,
CTK4E1402,
DTXSID40611154,
KRQCXABUOQTMLT-UHFFFAOYSA-N,
MFCD09952073,
AKOS011560666,
ZINC169925468,
FCH2255158,
ACM193965354,
PS-13011,
AX8258173,
DB-065838,
TR-009015,
CS-0062001,
FT-0753679,
Boronic acid, (7-methoxybenzo[b]thien-2-yl)- (9CI),
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.038g/mol |
| Monoisotopic Mass | 208.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.9A^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