Cas no 1312008-64-2 (1H-Indazole-4-carbonitrile, 1-acetyl-)
1312008-64-2 structure
Product Name:1H-Indazole-4-carbonitrile, 1-acetyl-
CAS No:1312008-64-2
MF:C10H7N3O
MW:185.182081460953
CID:2111681
Update Time:2023-08-04
1H-Indazole-4-carbonitrile, 1-acetyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-acetyl-1H-Indazole-4-carbonitrile
- 1H-Indazole-4-carbonitrile, 1-acetyl-
- VYLCOMHHWLSTGT-UHFFFAOYSA-N
-
- Inchi： 1S/C10H7N3O/c1-7(14)13-10-4-2-3-8(5-11)9(10)6-12-13/h2-4,6H,1H3
- InChI Key： VYLCOMHHWLSTGT-UHFFFAOYSA-N
- SMILES： O=C(C)N1C2C=CC=C(C#N)C=2C=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 293
- Topological Polar Surface Area: 58.7
1H-Indazole-4-carbonitrile, 1-acetyl- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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