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4-[(3,4-dichlorophenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide

HCID 178917689
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Basic information

CAS
303987-45-3
Standard SMILES
O=C(NN=Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIKey
CZPLPJWBSYSDTM-UHFFFAOYSA-N
Molecular formula
C21H11Cl2F5N2O2
Average molar mass
489.2 g/mol

Names & identifiers

Preferred name
4-[(3,4-dichlorophenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
IUPAC
4-[(3,4-dichlorophenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
English name
4-[(3,4-Dichlorobenzyl)oxy]-N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylidene]benzenecarbohydrazide
Molecular formula
C21H11Cl2F5N2O2
Molecular weight
489.22

Names & synonyms

4-[(3,4-dichlorophenyl)methoxy]-N'-[(1E)-(2,3,4,5,6-pentafluorophenyl)methylidene]benzohydrazide4-[(3,4-Dichlorobenzyl)oxy]-N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylidene]benzenecarbohydrazideBenzoic acid, 4-[(3,4-dichlorophenyl)methoxy]-, 2-[(2,3,4,5,6-pentafluorophenyl)methylene]hydrazide

Database identifiers

CAS
303987-45-3

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
50.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
32
Formal charge
0
Complexity
640

Physicochemical properties

Density
1.47 · 1.47±0.1 g/cm3(Predicted)
pka
10.6 · 10.60±0.46(Predicted)

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