Nombre: 1-[2-fluoro-4-(oxan-2-yloxy)phenyl]ethanone
SMILES:
CC(=O)C1=C(C=C(C=C1)OC2CCCCO2)FMolecular Processing
Molecular formula
C13H15FO3
Molecular weight
238.26
Exact mass
238.1005
XLogP
2.93
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
60.62
Supplementary Information
InChIKey: MVUXSCGTTGDGHB-UHFFFAOYSA-N
Sinónimos
SCHEMBL3685410MVUXSCGTTGDGHB-UHFFFAOYSA-N1-[2-Fluoro-4-(tetrahydro-pyran-2-yloxy)-phenyl]-ethanone
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