Cas no 478366-47-1 (1H-Indazole-5-carbonitrile, 1-acetyl-)
478366-47-1 structure
Product Name:1H-Indazole-5-carbonitrile, 1-acetyl-
CAS No:478366-47-1
MF:C10H7N3O
MW:185.182081460953
CID:3996923
PubChem ID:18771997
Update Time:2025-04-22
1H-Indazole-5-carbonitrile, 1-acetyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole-5-carbonitrile, 1-acetyl-
- SCHEMBL5342173
- KHPXXYREJCAFBM-UHFFFAOYSA-N
- 1-acetyl-1H-indazole-5-carbonitrile
- 478366-47-1
- DB-162162
-
- Inchi： 1S/C10H7N3O/c1-7(14)13-10-3-2-8(5-11)4-9(10)6-12-13/h2-4,6H,1H3
- InChI Key： KHPXXYREJCAFBM-UHFFFAOYSA-N
- SMILES： N1(C(C)=O)C2=C(C=C(C#N)C=C2)C=N1
Computed Properties
- Exact Mass: 185.058911855Da
- Monoisotopic Mass: 185.058911855Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 293
- 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: 1.2
- Topological Polar Surface Area: 58.7?2
1H-Indazole-5-carbonitrile, 1-acetyl- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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