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Home > Boronic Acids > 393870-04-7
393870-04-7 | (4'-Methyl-[1,1'-biphenyl]-4-yl)boronic acid
CAS No: 393870-04-7 Catalog No: AG007960 MDL No:MFCD04038170
Product Description
Catalog Number:
AG007960
Chemical Name:
(4'-Methyl-[1,1'-biphenyl]-4-yl)boronic acid
CAS Number:
393870-04-7
Molecular Formula:
C13H13BO2
Molecular Weight:
212.0521
MDL Number:
MFCD04038170
IUPAC Name:
[4-(4-methylphenyl)phenyl]boronic acid
InChI:
InChI=1S/C13H13BO2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h2-9,15-16H,1H3
InChI Key:
UVCRLTMCDUXFSL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccc(cc1)B(O)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.055g/mol
Monoisotopic Mass:
212.101g/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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