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Home > Boronic Acids > 364590-93-2
364590-93-2 | (4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)boronic acid
CAS No: 364590-93-2 Catalog No: AG0079S0 MDL No:MFCD08544391
Product Description
Catalog Number:
AG0079S0
Chemical Name:
(4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)boronic acid
CAS Number:
364590-93-2
Molecular Formula:
C13H10BF3O2
Molecular Weight:
266.0235
MDL Number:
MFCD08544391
IUPAC Name:
[4-[4-(trifluoromethyl)phenyl]phenyl]boronic acid
InChI:
InChI=1S/C13H10BF3O2/c15-13(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18)19/h1-8,18-19H
InChI Key:
VXRWBTTXNCRCPS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)c1ccc(cc1)C(F)(F)F)O
Properties
Complexity:
280
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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