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Home > Boronic Acids > 848950-07-2
848950-07-2 | Boronic acid, (4,4''-dimethyl[1,1':3',1''-terphenyl]-5'-yl)-
CAS No: 848950-07-2 Catalog No: AG004M8Z MDL No:
Product Description
Catalog Number:
AG004M8Z
Chemical Name:
Boronic acid, (4,4''-dimethyl[1,1':3',1''-terphenyl]-5'-yl)-
CAS Number:
848950-07-2
Molecular Formula:
C20H19BO2
Molecular Weight:
302.1747
IUPAC Name:
[3,5-bis(4-methylphenyl)phenyl]boronic acid
InChI:
InChI=1S/C20H19BO2/c1-14-3-7-16(8-4-14)18-11-19(13-20(12-18)21(22)23)17-9-5-15(2)6-10-17/h3-13,22-23H,1-2H3
InChI Key:
FCZQEZNIZREUGW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)B(O)O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.18g/mol
Monoisotopic Mass:
302.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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