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Home > Boronic Acids > 942070-00-0
942070-00-0 | 2-(4-BROMO-2,5-DIMETHYLTHIOPHEN-3-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS No: 942070-00-0 Catalog No: AG006OLR MDL No:
Product Description
Catalog Number:
AG006OLR
Chemical Name:
2-(4-BROMO-2,5-DIMETHYLTHIOPHEN-3-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS Number:
942070-00-0
Molecular Formula:
C12H18BBrO2S
Molecular Weight:
317.0501
IUPAC Name:
2-(4-bromo-2,5-dimethylthiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C12H18BBrO2S/c1-7-9(10(14)8(2)17-7)13-15-11(3,4)12(5,6)16-13/h1-6H3
InChI Key:
KEBHAGARJOBBEJ-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1B1OC(C(O1)(C)C)(C)C)Br)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.048g/mol
Monoisotopic Mass:
316.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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