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Home > Boronic Acids > 916454-58-5
916454-58-5 | 2,2'-(3-CYANOTHIOPHENE-2,5-DIYL)BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)
CAS No: 916454-58-5 Catalog No: AG006F6Z MDL No:
Product Description
Catalog Number:
AG006F6Z
Chemical Name:
2,2'-(3-CYANOTHIOPHENE-2,5-DIYL)BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)
CAS Number:
916454-58-5
Molecular Formula:
C17H25B2NO4S
Molecular Weight:
361.0717
IUPAC Name:
2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbonitrile
InChI:
InChI=1S/C17H25B2NO4S/c1-14(2)15(3,4)22-18(21-14)12-9-11(10-20)13(25-12)19-23-16(5,6)17(7,8)24-19/h9H,1-8H3
InChI Key:
MTFIFMISLUXNDA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(sc1B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.169g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.07g/mol
Monoisotopic Mass:
361.169g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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