名称: 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoyl bromide
SMILES:
CC(C(=O)Br)OC1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)FMolecular Processing
Molecular formula
C16H12BrF3O3
Molecular weight
389.17
Exact mass
387.9922
XLogP
5.19
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
81.98
Supplementary Information
InChIKey: VFERGEXMZIIIBD-UHFFFAOYSA-N
同義語
SCHEMBL104305132-[4'-(4"-trifluoromethyl-phenoxy)-phenoxy]-propionyl-bromide2-[4'-(4""-Trifluoromethyl-phenoxy)-phenoxy]-propionyl-bromide
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