2-Methyl-3-(methylsulfonyl)phenylboronic Acid - CAS 1313617-69-4
Catalog: |
BB007304 |
Product Name: |
2-Methyl-3-(methylsulfonyl)phenylboronic Acid |
CAS: |
1313617-69-4 |
Synonyms: |
(2-methyl-3-methylsulfonylphenyl)boronic acid; (2-methyl-3-methylsulfonylphenyl)boronic acid |
IUPAC Name: | (2-methyl-3-methylsulfonylphenyl)boronic acid |
Description: | 2-Methyl-3-(methylsulfonyl)phenylboronic Acid (CAS# 1313617-69-4 ) is a useful research chemical. |
Molecular Weight: | 214.05 |
Molecular Formula: | C8H11O4SB |
Canonical SMILES: | B(C1=C(C(=CC=C1)S(=O)(=O)C)C)(O)O |
InChI: | InChI=1S/C8H11BO4S/c1-6-7(9(10)11)4-3-5-8(6)14(2,12)13/h3-5,10-11H,1-2H3 |
InChI Key: | QOMZNEHQVPYMTH-UHFFFAOYSA-N |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.0471102 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.0471102 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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