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Home > Boronic Acids > 501944-56-5
501944-56-5 | (3'-Methyl-[1,1'-biphenyl]-4-yl)boronic acid
CAS No: 501944-56-5 Catalog No: AG00DKGF MDL No:MFCD08701725
Product Description
Catalog Number:
AG00DKGF
Chemical Name:
(3'-Methyl-[1,1'-biphenyl]-4-yl)boronic acid
CAS Number:
501944-56-5
Molecular Formula:
C13H13BO2
Molecular Weight:
212.0521
MDL Number:
MFCD08701725
IUPAC Name:
[4-(3-methylphenyl)phenyl]boronic acid
InChI:
InChI=1S/C13H13BO2/c1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)14(15)16/h2-9,15-16H,1H3
InChI Key:
ZMAZTBOWJCUUAW-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1ccc(cc1)B(O)O
Properties
Complexity:
212
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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