Cas no 149777-05-9 (4-(1H-Indazol-1-ylmethyl)Benzonitrile)
149777-05-9 structure
Product Name:4-(1H-Indazol-1-ylmethyl)Benzonitrile
CAS No:149777-05-9
MF:C15H11N3
MW:233.267942667007
CID:2106361
Update Time:2023-08-03
4-(1H-Indazol-1-ylmethyl)Benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 4-(1H-indazol-1-ylmethyl)Benzonitrile
- 4-(1H-Indazol-1-ylmethyl)Benzonitrile
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- Inchi： 1S/C15H11N3/c16-9-12-5-7-13(8-6-12)11-18-15-4-2-1-3-14(15)10-17-18/h1-8,10H,11H2
- InChI Key： WJRFNHIHWJALTP-UHFFFAOYSA-N
- SMILES： N1(C2C=CC=CC=2C=N1)CC1C=CC(C#N)=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 324
- Topological Polar Surface Area: 41.6
4-(1H-Indazol-1-ylmethyl)Benzonitrile Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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