| CAS Number | 1065184-99-7 |
| Catalog Number | AG01BA1N |
| Chemical Name | (5-Cyanothiophen-3-yl)boronic acid |
| IUPAC Name | (5-cyanothiophen-3-yl)boronic acid |
| InChI | InChI=1S/C5H4BNO2S/c7-2-5-1-4(3-10-5)6(8)9/h1,3,8-9H |
| InChI Key | GZCHKOFLMCIZOU-UHFFFAOYSA-N |
| MDL Number | MFCD18383130 |
| Molecular Formula | C5H4BNO2S |
| Molecular Weight | 152.9668 |
| SMILES | B(C1=CSC(=C1)C#N)(O)O |
| Synonyms | (5-Cyanothiophen-3-yl)boronic acid,
1065184-99-7,
ZINC238638388,
Boronic acid, B-(5-cyano-3-thienyl)-,
FT-0752435,
B-(5-cyano-3-thienyl)Boronic acid,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.962g/mol |
| Monoisotopic Mass | 153.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number