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Home > Boronic Acids > 863868-47-7
863868-47-7 | 2,5-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZENE-1,4-DICARBONITRILE
CAS No: 863868-47-7 Catalog No: AG008GGI MDL No:
Product Description
Catalog Number:
AG008GGI
Chemical Name:
2,5-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZENE-1,4-DICARBONITRILE
CAS Number:
863868-47-7
Molecular Formula:
C20H26B2N2O4
Molecular Weight:
380.0534
IUPAC Name:
2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,4-dicarbonitrile
InChI:
InChI=1S/C20H26B2N2O4/c1-17(2)18(3,4)26-21(25-17)15-9-14(12-24)16(10-13(15)11-23)22-27-19(5,6)20(7,8)28-22/h9-10H,1-8H3
InChI Key:
SNMRYEFSUYXTPF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(cc1B1OC(C(O1)(C)C)(C)C)C#N
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.208g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.058g/mol
Monoisotopic Mass:
380.208g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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