2-(t-Butylsulfamoyl)-5-methylphenylboronic acid - CAS 183000-60-4
Catalog: |
BB071569 |
Product Name: |
2-(t-Butylsulfamoyl)-5-methylphenylboronic acid |
CAS: |
183000-60-4 |
Synonyms: |
(2-(N-(tert-Butyl)sulfamoyl)-5-methylphenyl)boronic acid; 2-(t-Butylsulfamoyl)-5-methylphenylboronic acid; [2-(tert-butylsulfamoyl)-5-methylphenyl]boronic acid; t-Butyl 2-borono-4-methylbenzenesulfonamide; (2-(N-(tert-Butyl)sulfamoyl)-5-methylphenyl)boronicacid |
IUPAC Name: | [2-(tert-butylsulfamoyl)-5-methylphenyl]boronic acid |
Description: | 2-(t-Butylsulfamoyl)-5-methylphenylboronic acid |
Molecular Weight: | 271.14 |
Molecular Formula: | C11H18BNO4S |
Canonical SMILES: | B(C1=C(C=CC(=C1)C)S(=O)(=O)NC(C)(C)C)(O)O |
InChI: | InChI=1S/C11H18BNO4S/c1-8-5-6-10(9(7-8)12(14)15)18(16,17)13-11(2,3)4/h5-7,13-15H,1-4H3 |
InChI Key: | AWBYIPZEQVPQBT-UHFFFAOYSA-N |
Complexity: | 372 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.1049594 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.1049594 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 95Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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