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Home > Boronic Acids > 942589-53-9
942589-53-9 | 2-(4'-Chloro-biphenyl-4-yl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
CAS No: 942589-53-9 Catalog No: AG00II0D MDL No:MFCD18447537
Product Description
Catalog Number:
AG00II0D
Chemical Name:
2-(4'-Chloro-biphenyl-4-yl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
CAS Number:
942589-53-9
Molecular Formula:
C18H20BClO2
Molecular Weight:
314.6142
MDL Number:
MFCD18447537
IUPAC Name:
2-[4-(4-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C18H20BClO2/c1-17(2)18(3,4)22-19(21-17)15-9-5-13(6-10-15)14-7-11-16(20)12-8-14/h5-12H,1-4H3
InChI Key:
IFONTXWYGMTBMW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.124g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.616g/mol
Monoisotopic Mass:
314.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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