Home Boronic acids (5-(4-chlorophenyl)thiophen-2-yl)boronic acid

(5-(4-chlorophenyl)thiophen-2-yl)boronic acid

CAS No.:
1210470-48-6
Catalog Number:
AG008TKU
Molecular Formula:
C26H26B2Cl2O4S2
Molecular Weight:
559.1402
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Product Description
Catalog Number:
AG008TKU
Chemical Name:
(5-(4-chlorophenyl)thiophen-2-yl)boronic acid
CAS Number:
1210470-48-6
Molecular Formula:
C26H26B2Cl2O4S2
Molecular Weight:
559.1402
MDL Number:
MFCD18383054
IUPAC Name:
[5-(4-chlorophenyl)thiophen-2-yl]boronic acid;2-[5-(4-chlorophenyl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H18BClO2S.C10H8BClO2S/c1-15(2)16(3,4)20-17(19-15)14-10-9-13(21-14)11-5-7-12(18)8-6-11;12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h5-10H,1-4H3;1-6,13-14H
InChI Key:
YHEDBMOYDOSINM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1ccc(s1)B(O)O.Clc1ccc(cc1)c1ccc(s1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
576  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.084g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
559.13g/mol
Monoisotopic Mass:
558.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties