CCC(=O)C1=C(C=C(C(=C1)C)C)OS(=O)(=O)C(F)(F)F
CAS: 938449-92-4
الاسم: (4,5-dimethyl-2-propanoylphenyl) trifluoromethanesulfonate
SMILES: CCC(=O)C1=C(C=C(C(=C1)C)C)OS(=O)(=O)C(F)(F)F

Molecular Processing

Molecular formula
C12H13F3O4S
Molecular weight
310.29
Exact mass
310.0487
XLogP
3.12
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
66.14

Supplementary Information

InChIKey: VZIIYTMPXHUFEK-UHFFFAOYSA-N
مرادفات
4,5-dimethyl-2-propionylphenyl trifluoromethanesulfonateSCHEMBL4832804DTXSID401166019938449-92-44,5-Dimethyl-2-propanoylphenyl trifluoromethanesulfonate4.5-dimethyl-2-propionylphenyl trifluoromethanesulfonate4,5-Dimethyl-2-(1-oxopropyl)phenyl 1,1,1-trifluoromethanesulfonate
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