Home Halogens sodium 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate

sodium 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate

CAS No.:
2138378-86-4
Catalog Number:
AG01EK9U
Molecular Formula:
C9H4ClN2NaO3
Molecular Weight:
246.5824
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Product Description
Catalog Number:
AG01EK9U
Chemical Name:
sodium 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate
CAS Number:
2138378-86-4
Molecular Formula:
C9H4ClN2NaO3
Molecular Weight:
246.5824
MDL Number:
MFCD31559371
IUPAC Name:
sodium;5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate
InChI:
InChI=1S/C9H5ClN2O3.Na/c10-6-4-2-1-3-5(6)8-11-7(9(13)14)12-15-8;/h1-4H,(H,13,14);/q;+1/p-1
InChI Key:
ABBZQWSTHHQJSO-UHFFFAOYSA-M
SMILES:
Clc1ccccc1c1onc(n1)C(=O)[O-].[Na+]
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.981g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.582g/mol
Monoisotopic Mass:
245.981g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties