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potassium 2,5-dichlorophenolate,Canonical SMILES: C1=CC(=C(C=C1Cl)[O-

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摘 要: potassium 2,5-dichlorophenolate,Canonical SMILES: C1=CC(=C(C=C1Cl)[O-])Cl.[K+],InChI: InChI=1/C6H4Cl2O.K/c7-4-1-2-5(8)6(9)3-4;/h1-3,,9H;/q;+1/p-1/fC6H3Cl2O.K/h9h;/q-1;m,Molecular Weight201.09172 [g/mol]Molecular FormulaC6H3Cl2KOH-Bond Donor0H-Bond A
[Synonyms]

[Structure]
 potassium 2,5-dichlorophenolate,Canonical SMILES: C1=CC(=C(C=C1Cl)[O-

[ Properties Computed from Structure]
Molecular Weight201.09172 [g/mol]
Molecular FormulaC6H3Cl2KO
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count0
Exact Mass199.919802
MonoIsotopic Mass199.919802
Topological Polar Surface Area23.1
Heavy Atom Count10
Formal Charge0
Complexity97.1
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: potassium 2,5-dichlorophenolate
Canonical SMILES: C1=CC(=C(C=C1Cl)[O-])Cl.[K+]
InChI: InChI=1/C6H4Cl2O.K/c7-4-1-2-5(8)6(9)3-4;/h1-3,
9H;/q;+1/p-1/fC6H3Cl2O.K/h9h;/q-1;m

 
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