Cas no 1247002-69-2 (6-Formyl-1H-indazole-3-carbonitrile)
1247002-69-2 structure
Product Name:6-Formyl-1H-indazole-3-carbonitrile
CAS No:1247002-69-2
MF:C9H5N3O
MW:171.155501127243
CID:2108052
Update Time:2023-08-03
6-Formyl-1H-indazole-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 6-?formyl-1H-?Indazole-?3-?carbonitrile
- 6-formyl-1H-indazole-3-carbonitrile
- 1H-Indazole-3-carbonitrile, 6-formyl-
- HBZNMYOVNNQIJZ-UHFFFAOYSA-N
- 1h-indazole-3-carbonitrile,6-formyl-
- 6-Formyl-1H-indazole-3-carbonitrile
-
- Inchi： 1S/C9H5N3O/c10-4-9-7-2-1-6(5-13)3-8(7)11-12-9/h1-3,5H,(H,11,12)
- InChI Key： HBZNMYOVNNQIJZ-UHFFFAOYSA-N
- SMILES： O=CC1C=CC2C(C#N)=NNC=2C=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 257
- Topological Polar Surface Area: 69.5
6-Formyl-1H-indazole-3-carbonitrile Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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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