Cas no 829-31-2 ( )
structure
Product Name:
CAS No:829-31-2
MF:C8H5ClN2O2
MW:196.590500593185
CID:988344
PubChem ID:586698
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-Chlorophenyl)-1,2,3-oxadiazole-3-ium-5-olate
- 3-(4-chlorophenyl)oxadiazol-3-ium-5-olate
- 3-(4-Chlorophenyl)sydnone
- DTXSID50343015
- Sydnone, 3-(p-chlorophenyl)-
- SCHEMBL3060982
- Sydnone, 3-(4-chlorophenyl)-
- AKOS024374840
- 829-31-2
- NSC35759
- NSC-35759
- 3-(p-Chlorophenyl)sydnone
-
-
- Inchi： 1S/C8H5ClN2O2/c9-6-1-3-7(4-2-6)11-5-8(12)13-10-11/h1-5H
- InChI Key： VUXSBVYENPHXGE-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)[N+]1C=C([O-])ON=1
Computed Properties
- Exact Mass: 196.0039551g/mol
- Monoisotopic Mass: 196.0039551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 53?2
Related Literature
-
3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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