Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1C=O
Name: 4-[2-(2,6-Dichloro-phenyl)-4-isopropyl-2H-pyrazol-3-ylmethoxy]-2-methyl-benzaldehyde
SMILES: Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1C=O

Molecular Processing

Molecular formula
C21H20Cl2N2O2
Molecular weight
403.31
Exact mass
402.0902
XLogP
6
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
108.57

Supplementary Information

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Involved in 5 reactions→

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