4-Cyano-2-methylphenylboronic acid, pinacol ester - CAS 848953-05-9
Catalog: |
BB069018 |
Product Name: |
4-Cyano-2-methylphenylboronic acid, pinacol ester |
CAS: |
848953-05-9 |
Synonyms: |
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; 4-Cyano-2-methylphenylboronic acid pinacol ester; 4-Cyano-2-methylphenylboronic acid, pinacol ester; 3-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile |
IUPAC Name: | 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
Description: | 4-Cyano-2-methylphenylboronic acid, pinacol ester |
Molecular Weight: | 243.11 |
Molecular Formula: | C14H18BNO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C#N)C |
InChI: | InChI=1S/C14H18BNO2/c1-10-8-11(9-16)6-7-12(10)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3 |
InChI Key: | HHMQXEPAUAWWKE-UHFFFAOYSA-N |
Complexity: | 355 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.143059 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.143059 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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