2,4-Dichlorobenzylboronic acid pinacol ester - CAS 1800284-57-4
Catalog: |
BB067996 |
Product Name: |
2,4-Dichlorobenzylboronic acid pinacol ester |
CAS: |
1800284-57-4 |
Synonyms: |
2-(2,4-Dichlorobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2,4-Dichlorobenzylboronic acid pinacol ester; 2-[(2,4-DICHLOROPHENYL)METHYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE |
IUPAC Name: | 2-[(2,4-dichlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 2,4-Dichlorobenzylboronic acid pinacol ester |
Molecular Weight: | 286.99 |
Molecular Formula: | C13H17BCl2O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)CC2=C(C=C(C=C2)Cl)Cl |
InChI: | InChI=1S/C13H17BCl2O2/c1-12(2)13(3,4)18-14(17-12)8-9-5-6-10(15)7-11(9)16/h5-7H,8H2,1-4H3 |
InChI Key: | VNJXXCUJAVXQHP-UHFFFAOYSA-N |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.0698653 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.0698653 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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