Name: 6-trifluoromethoxy-2H-chromene-3-carbonitrile
SMILES:
N#CC1=Cc2cc(OC(F)(F)F)ccc2OC1Molecular Processing
Molecular formula
C11H6F3NO2
Molecular weight
241.17
Exact mass
241.0351
XLogP
2.88
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
52.21
Supplementary Information
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