| CAS Number | 177735-30-7 |
| Catalog Number | AG00HZQF(AGN-PC-0WP1O1) |
| Chemical Name | (1-Benzothiophen-4-yl)boronic acid |
| IUPAC Name | 1-benzothiophen-4-ylboronic acid |
| InChI | InChI=1S/C8H7BO2S/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-5,10-11H |
| InChI Key | CVFRBXCMTNBDBI-UHFFFAOYSA-N |
| MDL Number | MFCD22191951 |
| Molecular Formula | C8H7BO2S |
| Molecular Weight | 178.0160 |
| SMILES | OB(c1cccc2c1ccs2)O |
| Synonyms | 177735-30-7,
(1-Benzothiophen-4-yl)boronic acid,
benzo[b]thiophen-4-ylboronic acid,
Boronic acid, B-benzo[b]thien-4-yl-,
SCHEMBL4140014,
1-benzothiophen-4-ylboronic acid,
DTXSID50618674,
boronic acid,b-benzo[b]thien-4-yl-,
ZINC196729604,
FT-0733988,
D-1795,
Benzo[b]thiophene-4-boronic acid,
B-benzo[b]thien-4-ylBoronic acid,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.012g/mol |
| Monoisotopic Mass | 178.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.7A^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