4-(t-Butoxycarbonyl)-2-methylphenylboronic Acid Pinacol Ester - CAS 1073493-92-1
Catalog: |
BB062169 |
Product Name: |
4-(t-Butoxycarbonyl)-2-methylphenylboronic Acid Pinacol Ester |
CAS: |
1073493-92-1 |
Synonyms: |
3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,1-dimethylethyl Ester Benzoic Acid |
IUPAC Name: | tert-butyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 4-(t-Butoxycarbonyl)-2-methylphenylboronic acid, pinacol ester |
Molecular Weight: | 336.23 |
Molecular Formula: | C18H29BO5 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(=O)OC(C)(C)C)C |
InChI: | InChI=1S/C18H27BO4/c1-12-11-13(15(20)21-16(2,3)4)9-10-14(12)19-22-17(5,6)18(7,8)23-19/h9-11H,1-8H3 |
InChI Key: | OZXRFFSWFUALSU-UHFFFAOYSA-N |
Complexity: | 436 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.2002395 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.2002395 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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