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Home > Boronic Acids > 1057654-43-9
1057654-43-9 | (3,5-dimethyl-[1,1'-biphenyl]-4-yl)boronic acid
CAS No: 1057654-43-9 Catalog No: AG01DD03 MDL No:MFCD26045241
Product Description
Catalog Number:
AG01DD03
Chemical Name:
(3,5-dimethyl-[1,1'-biphenyl]-4-yl)boronic acid
CAS Number:
1057654-43-9
Molecular Formula:
C14H15BO2
Molecular Weight:
226.0787
MDL Number:
MFCD26045241
IUPAC Name:
(2,6-dimethyl-4-phenylphenyl)boronic acid
InChI:
InChI=1S/C14H15BO2/c1-10-8-13(12-6-4-3-5-7-12)9-11(2)14(10)15(16)17/h3-9,16-17H,1-2H3
InChI Key:
KEWCSCZDKPGJSC-UHFFFAOYSA-N
SMILES:
OB(c1c(C)cc(cc1C)c1ccccc1)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.082g/mol
Monoisotopic Mass:
226.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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