Name: 3-(4-bromophenyl)-2,2-bis(3-(trifluoromethoxy)phenyl)propanoic acid
SMILES:
O=C(O)C(Cc1ccc(Br)cc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1Molecular Processing
Molecular formula
C23H15BrF6O4
Molecular weight
549.26
Exact mass
548.0058
XLogP
6.86
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
112.51
Supplementary Information
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