CCOC(=O)CC(=O)C1=C(C(=C(C=C1F)F)F)C
CAS: 119915-43-4
Nombre: ethyl 3-oxo-3-(3,4,6-trifluoro-2-methylphenyl)propanoate
SMILES: CCOC(=O)CC(=O)C1=C(C(=C(C=C1F)F)F)C

Molecular Processing

Molecular formula
C12H11F3O3
Molecular weight
260.21
Exact mass
260.066
XLogP
2.55
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
56.63

Supplementary Information

InChIKey: PKVJTIRTPGHBRU-UHFFFAOYSA-N
Sinónimos
119915-43-4Ethyl (3,4,6-Trifluoro-2-methylbenzoyl)acetateSCHEMBL5502158ethyl 3-oxo-3-(3,4,6-trifluoro-2-methylphenyl)propanoatePKVJTIRTPGHBRU-UHFFFAOYSA-NSY406195ethyl 2-methyl-3,4,6-trifluorobenzoylacetateethyl 2-methyl-3,4,6,-trifluorobenzoylacetate
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