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2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl),methylidene

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摘 要: 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl),methylideneamino]acetamide,Canonical SMILES: COC1=C(C=CC(=C1)C=NNC(=O)COC2=C(C=C(C=C2)Cl)Br)Cl,InChI: InChI=1/C16H13BrCl2N2O3/c1-23-15-6-10(2-4-13(15)19)8-20-21-16(22)9-24-,14-5-3-11(18)7-12(
[Synonyms]

[Structure]
 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl),methylidene

[ Properties Computed from Structure]
Molecular Weight432.09602 [g/mol]
Molecular FormulaC16H13BrCl2N2O3
XLogP5.6
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count2
Exact Mass429.94866
MonoIsotopic Mass429.94866
Topological Polar Surface Area59.9
Heavy Atom Count24
Formal Charge0
Complexity442
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)
methylideneamino]acetamide
Canonical SMILES: COC1=C(C=CC(=C1)C=NNC(=O)COC2=C(C=C(C=C2)Cl)Br)Cl
InChI: InChI=1/C16H13BrCl2N2O3/c1-23-15-6-10(2-4-13(15)19)8-20-21-16(22)9-24-
14-5-3-11(18)7-12(14)17/h2-8H,9H2,1H3,(H,21,22)/f/h21H

 
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