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Home > Boronic Acids > 942069-63-8
942069-63-8 | 2-(3,5-DIMETHYL-4-(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS No: 942069-63-8 Catalog No: AG005SN5 MDL No:
Product Description
Catalog Number:
AG005SN5
Chemical Name:
2-(3,5-DIMETHYL-4-(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS Number:
942069-63-8
Molecular Formula:
C22H25BO2
Molecular Weight:
332.2437
IUPAC Name:
2-[3,5-dimethyl-4-(2-phenylethynyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C22H25BO2/c1-16-14-19(23-24-21(3,4)22(5,6)25-23)15-17(2)20(16)13-12-18-10-8-7-9-11-18/h7-11,14-15H,1-6H3
InChI Key:
DUIRCRCTPLMOBV-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1C#Cc1ccccc1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.195g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.25g/mol
Monoisotopic Mass:
332.195g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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