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Home > Boronic Acids > 942069-67-2
942069-67-2 | 2-(3,5-DIBROMO-4-IODOPHENYL) 4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS No: 942069-67-2 Catalog No: AG0065YR MDL No:
Product Description
Catalog Number:
AG0065YR
Chemical Name:
2-(3,5-DIBROMO-4-IODOPHENYL) 4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS Number:
942069-67-2
Molecular Formula:
C12H14BBr2IO2
Molecular Weight:
487.7618
IUPAC Name:
2-(3,5-dibromo-4-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C12H14BBr2IO2/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)9(15)6-7/h5-6H,1-4H3
InChI Key:
VZRWEORUFYDDEX-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cc(Br)c(c(c1)Br)I
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.848g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
487.764g/mol
Monoisotopic Mass:
485.85g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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