이름: 3-{[4-(difluoromethoxy)phenyl]ethynyl}benzaldehyde
SMILES:
O=Cc1cccc(C#Cc2ccc(OC(F)F)cc2)c1Molecular Processing
Molecular formula
C16H10F2O2
Molecular weight
272.25
Exact mass
272.0649
XLogP
3.5
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
70.88
Supplementary Information
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