Cas no 82476-12-8 (1,3,4-Oxadiazole,2-(4-chlorophenyl)-5-methoxy-)
82476-12-8 structure
Product Name:1,3,4-Oxadiazole,2-(4-chlorophenyl)-5-methoxy-
CAS No:82476-12-8
MF:C9H7ClN2O2
MW:210.617080926895
CID:734167
PubChem ID:144989
Update Time:2025-04-19
1,3,4-Oxadiazole,2-(4-chlorophenyl)-5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,4-Oxadiazole,2-(4-chlorophenyl)-5-methoxy-
- 2-(4-chlorophenyl)-5-methoxy-1,3,4-oxadiazole
- DTXSID00231751
- 82476-12-8
- InChI=1/C9H7ClN2O2/c1-13-9-12-11-8(14-9)6-2-4-7(10)5-3-6/h2-5H,1H
- 1,3,4-oxadiazole, 2-(4-chlorophenyl)-5-methoxy-
-
- Inchi： 1S/C9H7ClN2O2/c1-13-9-12-11-8(14-9)6-2-4-7(10)5-3-6/h2-5H,1H3
- InChI Key： ZFMXLEKTIPSDTG-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1=NN=C(OC)O1
Computed Properties
- Exact Mass: 210.02
- Monoisotopic Mass: 210.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 186
- 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: 2.3
- Topological Polar Surface Area: 48.2?2
Experimental Properties
- Density: 1.317
- Boiling Point: 309.1°C at 760 mmHg
- Flash Point: 140.7°C
- Refractive Index: 1.549
1,3,4-Oxadiazole,2-(4-chlorophenyl)-5-methoxy- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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