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Home > Boronic Acids > 942069-81-0
942069-81-0 | 2-(3-METHOXY-5-(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS No: 942069-81-0 Catalog No: AG0065YO MDL No:
Product Description
Catalog Number:
AG0065YO
Chemical Name:
2-(3-METHOXY-5-(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS Number:
942069-81-0
Molecular Formula:
C21H23BO3
Molecular Weight:
334.2165
IUPAC Name:
2-[3-methoxy-5-(2-phenylethynyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C21H23BO3/c1-20(2)21(3,4)25-22(24-20)18-13-17(14-19(15-18)23-5)12-11-16-9-7-6-8-10-16/h6-10,13-15H,1-5H3
InChI Key:
IEBBFLSLGKINLZ-UHFFFAOYSA-N
SMILES:
COc1cc(C#Cc2ccccc2)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.174g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.222g/mol
Monoisotopic Mass:
334.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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