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Home > Boronic Acids > 942069-49-0
942069-49-0 | 2,2'-(5-Bromo-2-fluoro-1,3-phenylene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);
CAS No: 942069-49-0 Catalog No: AG003F6L MDL No:MFCD12026099
Product Description
Catalog Number:
AG003F6L
Chemical Name:
2,2'-(5-Bromo-2-fluoro-1,3-phenylene);bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane);
CAS Number:
942069-49-0
Molecular Formula:
C18H26B2BrFO4
Molecular Weight:
426.9210
MDL Number:
MFCD12026099
IUPAC Name:
2-[5-bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C18H26B2BrFO4/c1-15(2)16(3,4)24-19(23-15)12-9-11(21)10-13(14(12)22)20-25-17(5,6)18(7,8)26-20/h9-10H,1-8H3
InChI Key:
JUIGKQZHOKNIRX-UHFFFAOYSA-N
SMILES:
Brc1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1)B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.118g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.924g/mol
Monoisotopic Mass:
426.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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