| CAS Number | 1410783-27-5 |
| Catalog Number | AG00HVZ2(AGN-PC-0WRA33) |
| Chemical Name | 4-(1,3-Thiazol-2-yl)phenylboronic acid |
| IUPAC Name | [4-(1,3-thiazol-2-yl)phenyl]boronic acid |
| InChI | InChI=1S/C9H8BNO2S/c12-10(13)8-3-1-7(2-4-8)9-11-5-6-14-9/h1-6,12-13H |
| InChI Key | GIKLXOPEVLMJHV-UHFFFAOYSA-N |
| MDL Number | MFCD26937706 |
| Molecular Formula | C9H8BNO2S |
| Molecular Weight | 205.0413 |
| SMILES | OB(C1=CC=C(C2SC=CN=2)C=C1)O |
| Synonyms | 4-(1,3-Thiazol-2-yl)phenylboronic acid,
1410783-27-5,
SCHEMBL1920933,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.038g/mol |
| Monoisotopic Mass | 205.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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