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Home > Boronic Acids > 1315281-10-7
1315281-10-7 | 2-{4-[2-(4-chlorophenyl)ethynyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 1315281-10-7 Catalog No: AG00HSK7 MDL No:MFCD16294534
Product Description
Catalog Number:
AG00HSK7
Chemical Name:
2-{4-[2-(4-chlorophenyl)ethynyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
1315281-10-7
Molecular Formula:
C20H20BClO2
Molecular Weight:
338.6356
MDL Number:
MFCD16294534
IUPAC Name:
2-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C20H20BClO2/c1-19(2)20(3,4)24-21(23-19)17-11-7-15(8-12-17)5-6-16-9-13-18(22)14-10-16/h7-14H,1-4H3
InChI Key:
JYBZGAZKBBARQP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C#Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.124g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.638g/mol
Monoisotopic Mass:
338.124g/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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