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Home > Boronic Acids > 1107603-45-1
1107603-45-1 | 4'-(trifluoroMethyl)biphenyl-3-ylboronic acid
CAS No: 1107603-45-1 Catalog No: AG0096HQ MDL No:
Product Description
Catalog Number:
AG0096HQ
Chemical Name:
4'-(trifluoroMethyl)biphenyl-3-ylboronic acid
CAS Number:
1107603-45-1
Molecular Formula:
C13H10BF3O2
Molecular Weight:
266.0235
IUPAC Name:
[3-[4-(trifluoromethyl)phenyl]phenyl]boronic acid
InChI:
InChI=1S/C13H10BF3O2/c15-13(16,17)11-6-4-9(5-7-11)10-2-1-3-12(8-10)14(18)19/h1-8,18-19H
InChI Key:
BHAAKODXXMTNDE-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)c1ccc(cc1)C(F)(F)F)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.026g/mol
Monoisotopic Mass:
266.073g/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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