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83817-48-5 | Potassium 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
CAS No: 83817-48-5 Catalog No: AG004W19 MDL No:
Product Description
Catalog Number:
AG004W19
Chemical Name:
Potassium 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
CAS Number:
83817-48-5
Molecular Formula:
C11H6Cl2KNO3
Molecular Weight:
310.1745
IUPAC Name:
potassium;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C11H7Cl2NO3.K/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13;/h2-4H,1H3,(H,15,16);/q;+1/p-1
InChI Key:
GGEWUHWWTYFCLC-UHFFFAOYSA-M
SMILES:
Clc1cccc(c1c1noc(c1C(=O)[O-])C)Cl.[K+]
EC Number:
280-948-1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.936g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.171g/mol
Monoisotopic Mass:
308.936g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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