3-(Isopropanesulfonyl)phenylboronic acid - CAS 1318768-42-1
Catalog: |
BB060596 |
Product Name: |
3-(Isopropanesulfonyl)phenylboronic acid |
CAS: |
1318768-42-1 |
Synonyms: |
3-(Isopropanesulfonyl)phenylboronic acid; (3-propan-2-ylsulfonylphenyl)boronic acid; 3-(Isopropanesulfonyl)phenylboronicacid |
IUPAC Name: | (3-propan-2-ylsulfonylphenyl)boronic acid |
Description: | 3-(Isopropanesulfonyl)phenylboronic acid |
Molecular Weight: | 228.07 |
Molecular Formula: | C9H13BO4S |
Canonical SMILES: | B(C1=CC(=CC=C1)S(=O)(=O)C(C)C)(O)O |
InChI: | InChI=1S/C9H13BO4S/c1-7(2)15(13,14)9-5-3-4-8(6-9)10(11)12/h3-7,11-12H,1-2H3 |
InChI Key: | DGXSDARQWGOCEY-UHFFFAOYSA-N |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.0627602 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.0627602 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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