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Home > Boronic Acids > 157248-19-6
157248-19-6 | Boronic acid, B-(2,3-difluoro-4'-propyl[1,1'-biphenyl]-4-yl)-
CAS No: 157248-19-6 Catalog No: AG001PBJ MDL No:
Product Description
Catalog Number:
AG001PBJ
Chemical Name:
Boronic acid, B-(2,3-difluoro-4'-propyl[1,1'-biphenyl]-4-yl)-
CAS Number:
157248-19-6
Molecular Formula:
C15H15BF2O2
Molecular Weight:
276.0862
IUPAC Name:
[2,3-difluoro-4-(4-propylphenyl)phenyl]boronic acid
InChI:
InChI=1S/C15H15BF2O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13(16(19)20)15(18)14(12)17/h4-9,19-20H,2-3H2,1H3
InChI Key:
VRALYMROPDACFM-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)c1ccc(c(c1F)F)B(O)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.113g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.09g/mol
Monoisotopic Mass:
276.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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