Cas no 91982-87-5 ( )
structure
Product Name:
CAS No:91982-87-5
MF:C8H4Cl2N2O2
MW:231.035559654236
CID:997663
PubChem ID:24195471
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 3-(2,4-dichlorophenyl)oxadiazol-3-ium-5-olate
- 3-(2,4-Dichlorophenyl)-1,2,3-oxadiazol-3-ium-5-olate
- DTXSID70638672
- NSC-184754
- 91982-87-5
- NSC184754
-
-
- Inchi： 1S/C8H4Cl2N2O2/c9-5-1-2-7(6(10)3-5)12-4-8(13)14-11-12/h1-4H
- InChI Key： DFDPWIYOIPDGDI-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1[N+]1C=C([O-])ON=1)Cl
Computed Properties
- Exact Mass: 229.965
- Monoisotopic Mass: 229.965
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 208
- 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
- Topological Polar Surface Area: 53A^2
- XLogP3: 4.1
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
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