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Home > Boronic Acids > 491595-36-9
491595-36-9 | (2'-Methyl-[1,1'-biphenyl]-4-yl)boronic acid
CAS No: 491595-36-9 Catalog No: AG00DK8N MDL No:MFCD08701726
Product Description
Catalog Number:
AG00DK8N
Chemical Name:
(2'-Methyl-[1,1'-biphenyl]-4-yl)boronic acid
CAS Number:
491595-36-9
Molecular Formula:
C13H13BO2
Molecular Weight:
212.0521
MDL Number:
MFCD08701726
IUPAC Name:
[4-(2-methylphenyl)phenyl]boronic acid
InChI:
InChI=1S/C13H13BO2/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)14(15)16/h2-9,15-16H,1H3
InChI Key:
ZBZVBPYIBOLGCU-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1ccc(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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