O=Cc1ccc(C(F)(F)F)c(Cl)c1
Name: 3-chloro-4-(trifluoromethyl)benzaldehyde
SMILES: O=Cc1ccc(C(F)(F)F)c(Cl)c1

Molecular Processing

Molecular formula
C8H4ClF3O
Molecular weight
208.57
Exact mass
207.9903
XLogP
3.17
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
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
0.125
Molar refractivity
41.84

Supplementary Information

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