| CAS Number | 1023595-18-7 |
| Catalog Number | AG0091BS(AGN-PC-0C0IC1) |
| Chemical Name | 2-Cyanothiophen-3-ylboronic acid |
| IUPAC Name | (2-cyanothiophen-3-yl)boronic acid |
| InChI | InChI=1S/C5H4BNO2S/c7-3-5-4(6(8)9)1-2-10-5/h1-2,8-9H |
| InChI Key | RFWCHPVGCQCEQB-UHFFFAOYSA-N |
| MDL Number | MFCD18383141 |
| Molecular Formula | C5H4BNO2S |
| Molecular Weight | 152.9668 |
| SMILES | OB(C1=C(C#N)SC=C1)O |
| Synonyms | (2-cyanothiophen-3-yl)boronic acid,
1023595-18-7,
SCHEMBL3954597,
2-Cyanothiophen-3-ylboronic acid,
AKOS025395482,
Boronic acid, B-(2-cyano-3-thienyl)-,
(2-cyanothiophen-3-yl)boronicacid,
|
| 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