Nombre: O-[(4-methoxyphenyl)methyl] 3,3-difluoropropanethioate
SMILES:
COC1=CC=C(C=C1)COC(=S)CC(F)FMolecular Processing
Molecular formula
C11H12F2O2S
Molecular weight
246.28
Exact mass
246.0526
XLogP
3.19
TPSA
18.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
61
Supplementary Information
InChIKey: JAWZRTLNVXEHCB-UHFFFAOYSA-N
Sinónimos
p-methoxybenzyl difluoromethylthioacetateSCHEMBL11001169
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