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Home > Boronic Acids > 156642-03-4
156642-03-4 | Boronic acid, B-(4'-methoxy[1,1'-biphenyl]-4-yl)-
CAS No: 156642-03-4 Catalog No: AG001OV1 MDL No:MFCD04039030
Product Description
Catalog Number:
AG001OV1
Chemical Name:
Boronic acid, B-(4'-methoxy[1,1'-biphenyl]-4-yl)-
CAS Number:
156642-03-4
Molecular Formula:
C13H13BO3
Molecular Weight:
228.0515
MDL Number:
MFCD04039030
IUPAC Name:
[4-(4-methoxyphenyl)phenyl]boronic acid
InChI:
InChI=1S/C13H13BO3/c1-17-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15)16/h2-9,15-16H,1H3
InChI Key:
VIHQQLWZRRVBNE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccc(cc1)B(O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.054g/mol
Monoisotopic Mass:
228.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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