Cas no 864082-72-4 (1H-INDAZOLE, 3-CHLORO-6-FLUORO-5-NITRO-)
864082-72-4 structure
Product Name:1H-INDAZOLE, 3-CHLORO-6-FLUORO-5-NITRO-
CAS No:864082-72-4
MF:C7H3ClFN3O2
MW:215.569023370743
CID:3221799
PubChem ID:59729082
Update Time:2025-04-21
1H-INDAZOLE, 3-CHLORO-6-FLUORO-5-NITRO- Chemical and Physical Properties
Names and Identifiers
-
- 1H-INDAZOLE, 3-CHLORO-6-FLUORO-5-NITRO-
- 3-chloro-6-fluoro-5-nitro-1H-indazole
- DTXSID301286781
- DA-41088
- 864082-72-4
- SCHEMBL3885062
- OCBXGVWBWHVZMO-UHFFFAOYSA-N
-
- Inchi： 1S/C7H3ClFN3O2/c8-7-3-1-6(12(13)14)4(9)2-5(3)10-11-7/h1-2H,(H,10,11)
- InChI Key： OCBXGVWBWHVZMO-UHFFFAOYSA-N
- SMILES： N1C2=C(C=C([N+]([O-])=O)C(F)=C2)C(Cl)=N1
Computed Properties
- Exact Mass: 214.9897822Da
- Monoisotopic Mass: 214.9897822Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 250
- 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: 2.4
- Topological Polar Surface Area: 74.5?2
1H-INDAZOLE, 3-CHLORO-6-FLUORO-5-NITRO- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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