Cas no 72094-49-6 (Benzoic acid, 4-(5-phenyl-1,2,4-oxadiazol-5-yl)-)
72094-49-6 structure
Product Name:Benzoic acid, 4-(5-phenyl-1,2,4-oxadiazol-5-yl)-
CAS No:72094-49-6
MF:C15H10N2O3
MW:266.25150346756
CID:1757127
PubChem ID:10706852
Update Time:2025-04-21
Benzoic acid, 4-(5-phenyl-1,2,4-oxadiazol-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(5-phenyl-1,2,4-oxadiazol-5-yl)-
- 4-(5-Phenyl-[1,2,4]oxadiazol-3-yl)-benzoic acid
- SCHEMBL12171112
- AKOS010594760
- DB-205143
- 4-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoic Acid
- 72094-49-6
- MFCD31714194
-
- Inchi： 1S/C15H10N2O3/c18-15(19)12-8-6-10(7-9-12)13-16-14(20-17-13)11-4-2-1-3-5-11/h1-9H,(H,18,19)
- InChI Key： IHSRGUMQMXEXIS-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)=NC(C2C=CC(C(=O)O)=CC=2)=N1
Computed Properties
- Exact Mass: 268.08486
- Monoisotopic Mass: 266.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 336
- 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
- Topological Polar Surface Area: 76.2?2
Experimental Properties
- PSA: 70.92
Benzoic acid, 4-(5-phenyl-1,2,4-oxadiazol-5-yl)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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