이름: 4-Chloro-2,5-difluorobenzonitrile
SMILES:
N#Cc1cc(F)c(Cl)cc1FMolecular Processing
Molecular formula
C7H2ClF2N
Molecular weight
173.55
Exact mass
172.9844
XLogP
2.49
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
36.08
Supplementary Information
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