| CAS Number | 2096331-56-3 |
| Catalog Number | AG01EHJK |
| Chemical Name | 4-Chloro-5-(methoxycarbonyl)thiophene-2-boronic acid |
| IUPAC Name | (4-chloro-5-methoxycarbonylthiophen-2-yl)boronic acid |
| InChI | InChI=1S/C6H6BClO4S/c1-12-6(9)5-3(8)2-4(13-5)7(10)11/h2,10-11H,1H3 |
| InChI Key | POWNUOUYCFUBMH-UHFFFAOYSA-N |
| MDL Number | MFCD18311836 |
| Molecular Formula | C6H6BClO4S |
| Molecular Weight | 220.4384 |
| SMILES | COC(=O)c1sc(cc1Cl)B(O)O |
| Synonyms | 4-CHLORO-5-(METHOXYCARBONYL)THIOPHENE-2-BORONIC ACID,
2096331-56-3,
(4-Chloro-5-(methoxycarbonyl)thiophen-2-yl)boronic acid,
C6H6BClO4S,
MFCD18311836,
ZINC169934720,
Y2733,
B-9757,
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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 | 219.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.43g/mol |
| Monoisotopic Mass | 219.977g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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