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EINECS 273-145-2,Potassium sodium 2,6-dichlorosalicylate,3,6-Dichloros

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摘 要:EINECS 273-145-2,Potassium sodium 2,6-dichlorosalicylate,3,6-Dichlorosalicylate, sodium, potassium salt,LS-195657,potassium sodium 3,6-dichloro-2-oxidobenzoate,Benzoic acid, 3,6-dichloro-2-hydroxy-, potassium sodium salt,68938-79-4,3401-80-7, potassi
[Synonyms]
EINECS 273-145-2
Potassium sodium 2,6-dichlorosalicylate
3,6-Dichlorosalicylate, sodium, potassium salt
LS-195657
potassium sodium 3,6-dichloro-2-oxidobenzoate
Benzoic acid, 3,6-dichloro-2-hydroxy-, potassium sodium salt
68938-79-4
3401-80-7

[Structure]
EINECS 273-145-2,Potassium sodium 2,6-dichlorosalicylate,3,6-Dichloros

[ Properties Computed from Structure]
Molecular Weight267.08305 [g/mol]
Molecular FormulaC7H2Cl2KNaO3
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count0
Exact Mass265.891576
MonoIsotopic Mass265.891576
Topological Polar Surface Area63.2
Heavy Atom Count14
Formal Charge0
Complexity180
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count3

[ Descriptors Computed from Structure]
IUPAC Name: potassium sodium 3,6-dichloro-2-oxidobenzoate
Canonical SMILES: C1=CC(=C(C(=C1Cl)C(=O)[O-])[O-])Cl.[Na+].[K+]
InChI: InChI=1/C7H4Cl2O3.K.Na/c8-3-1-2-4(9)6(10)5(3)7(11)12;;/h1-2,10H,(H,11,
12);;/q;2*+1/p-2/fC7H2Cl2O3.K.Na/h10h;;/q-2;2m

 
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