| CAS Number | 1416853-79-6 |
| Catalog Number | AG01EL2P |
| Chemical Name | (4-fluoro-1-benzothiophen-2-yl)boronic acid |
| IUPAC Name | (4-fluoro-1-benzothiophen-2-yl)boronic acid |
| InChI | InChI=1S/C8H6BFO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4,11-12H |
| InChI Key | VFHIMNGLYVVYPU-UHFFFAOYSA-N |
| MDL Number | MFCD28673710 |
| Molecular Formula | C8H6BFO2S |
| Molecular Weight | 196.0064 |
| SMILES | OB(C1SC2=C(C(=CC=C2)F)C=1)O |
| Synonyms | 1416853-79-6,
Boronic acid, B-(4-fluorobenzo[b]thien-2-yl)-,
SCHEMBL14332411,
VFHIMNGLYVVYPU-UHFFFAOYSA-N,
4-Fluorobenzo[b]thiophen-2-ylboronic acid,
(4-fluoro-1-benzothiophen-2-yl)boronic acid,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.002g/mol |
| Monoisotopic Mass | 196.017g/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
Certificate of Analysis
Lot Number