3,5-Dichloro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester - CAS 1321613-04-0
Catalog: |
BB062852 |
Product Name: |
3,5-Dichloro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester |
CAS: |
1321613-04-0 |
Synonyms: |
Methyl 2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate; 3,5-Dichloro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester; METHYL 2,6-DICHLORO-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE; Methyl2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | methyl 2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 3,5-Dichloro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester |
Molecular Weight: | 331 |
Molecular Formula: | C14H17BCl2O4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)C(=O)OC)Cl |
InChI: | InChI=1S/C14H17BCl2O4/c1-13(2)14(3,4)21-15(20-13)8-6-9(16)11(10(17)7-8)12(18)19-5/h6-7H,1-5H3 |
InChI Key: | JQJYCPNGBPJIFX-UHFFFAOYSA-N |
Complexity: | 388 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.0596946 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.0596946 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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