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Home > Boronic Acids > 1265312-55-7
1265312-55-7 | Boronic acid, B-(3',5'-dimethyl[1,1'-biphenyl]-4-yl)-
CAS No: 1265312-55-7 Catalog No: AG000SVT MDL No:MFCD29077666
Product Description
Catalog Number:
AG000SVT
Chemical Name:
Boronic acid, B-(3',5'-dimethyl[1,1'-biphenyl]-4-yl)-
CAS Number:
1265312-55-7
Molecular Formula:
C14H15BO2
Molecular Weight:
226.0787
MDL Number:
MFCD29077666
IUPAC Name:
[4-(3,5-dimethylphenyl)phenyl]boronic acid
InChI:
InChI=1S/C14H15BO2/c1-10-7-11(2)9-13(8-10)12-3-5-14(6-4-12)15(16)17/h3-9,16-17H,1-2H3
InChI Key:
XXKUIEBXAIQMGG-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)c1cc(C)cc(c1)C)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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