| CAS Number | 1451392-55-4 |
| Catalog Number | AG00HXDR |
| Chemical Name | 5-Chloro-2-(methylsulfanyl)phenylboronic acid |
| IUPAC Name | (5-chloro-2-methylsulfanylphenyl)boronic acid |
| InChI | InChI=1S/C7H8BClO2S/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3 |
| InChI Key | IVVNCNFZKBXQJX-UHFFFAOYSA-N |
| MDL Number | MFCD22543736 |
| Molecular Formula | C7H8BClO2S |
| Molecular Weight | 202.4662 |
| SMILES | CSc1ccc(cc1B(O)O)Cl |
| Synonyms | 5-Chloro-2-(methylsulfanyl)phenylboronic acid,
1451392-55-4,
5-Chloro-2-(methythio)phenylboronic acid,
(5-chloro-2-(methylthio)phenyl)boronic acid,
MFCD22543736,
AKOS026673464,
ZINC170002621,
Y2821,
Q-8417,
C7H8BClO2S,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.459g/mol |
| Monoisotopic Mass | 202.003g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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