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Home > Boronic Acids > 501944-49-6
501944-49-6 | Boronic acid, [4'-(1,1-dimethylethyl)[1,1'-biphenyl]-4-yl]-
CAS No: 501944-49-6 Catalog No: AG00I8Z8 MDL No:MFCD08701731
Product Description
Catalog Number:
AG00I8Z8
Chemical Name:
Boronic acid, [4'-(1,1-dimethylethyl)[1,1'-biphenyl]-4-yl]-
CAS Number:
501944-49-6
Molecular Formula:
C16H19BO2
Molecular Weight:
254.1319
MDL Number:
MFCD08701731
IUPAC Name:
[4-(4-tert-butylphenyl)phenyl]boronic acid
InChI:
InChI=1S/C16H19BO2/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)17(18)19/h4-11,18-19H,1-3H3
InChI Key:
ROWGMWCSASZVBF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)c1ccc(cc1)C(C)(C)C)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.148g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.136g/mol
Monoisotopic Mass:
254.148g/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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