This chemical is called 3-(o-Chlorophenyl)sydnone, and its systematic name is 3-(2-chlorophenyl)-1,2,3-oxadiazol-3-ium-5-olate. With the molecular formula of C8H5ClN2O2, its molecular weight is 196.60. The CAS registry number of this chemical is 5226-48-2, and its classification code is Mutation data.
Other characteristics of the 3-(o-Chlorophenyl)sydnone can be summarised as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 50.14 Å2; (5)XLogP3-AA: 3.4; (6)Rotatable Bond Count: 1; (7)Exact Mass: 196.003955; (8)MonoIsotopic Mass: 196.003955; (9)Topological Polar Surface Area: 53; (10)Heavy Atom Count: 13; (11)Formal Charge: 0; (12)Complexity: 182; (13)Isotope Atom Count: 0; (14)Defined Atom StereoCenter Count: 0; (15)Undefined Atom StereoCenter Count: 0; (16)Defined Bond StereoCenter Count: 0; (17)Undefined Bond StereoCenter Count: 0; (18)Covalently-Bonded Unit Count: 1; (19)Feature 3D Ring Count: 2.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccccc1[n+]2noc([O-])c2
2.InChI: InChI=1/C8H5ClN2O2/c9-6-3-1-2-4-7(6)11-5-8(12)13-10-11/h1-5H
3.InChIKey: JOKDTVZBSYUBNQ-UHFFFAOYAJ
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