Cas no 141037-88-9 (1H-Indazole, 7-phenyl-)
1H-Indazole, 7-phenyl- structure
Product Name:1H-Indazole, 7-phenyl-
CAS No:141037-88-9
MF:C13H10N2
MW:194.231902599335
CID:1300270
Update Time:2024-08-03
1H-Indazole, 7-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole, 7-phenyl-
- 1H-Indazole,7-phenyl-
-
- Inchi： 1S/C13H10N2/c1-2-5-10(6-3-1)12-8-4-7-11-9-14-15-13(11)12/h1-9H,(H,14,15)
- InChI Key： UJIXVUOVVGDZGA-UHFFFAOYSA-N
- SMILES： N1C2=C(C=CC=C2C2=CC=CC=C2)C=N1
Computed Properties
- Exact Mass: 194.0845
- Monoisotopic Mass: 194.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 211
- 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: 28.7A^2
Experimental Properties
- PSA: 28.68
1H-Indazole, 7-phenyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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