Cas no 12221-10-2 (1H-Indazole-3-diazonium,6-chloro-)
12221-10-2 structure
Product Name:1H-Indazole-3-diazonium,6-chloro-
CAS No:12221-10-2
MF:C7H4ClN4
MW:179.586459159851
CID:211552
PubChem ID:165358725
Update Time:2025-04-19
1H-Indazole-3-diazonium,6-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole-3-diazonium,6-chloro-
- 6-Chloro-1H-indazole-3-diazonium
- LogP
- DTXSID201303130
- 12221-10-2
-
- Inchi： 1S/C7H4ClN4/c8-4-1-2-5-6(3-4)11-12-7(5)10-9/h1-3H,(H,11,12)/q+1
- InChI Key： XTEKJGQVDSPGMY-UHFFFAOYSA-N
- SMILES： ClC1C=CC2C([N+]#N)=NNC=2C=1
Computed Properties
- Exact Mass: 178.00479
- Monoisotopic Mass: 179.0124488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 223
- 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: 3.2
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 53.93
1H-Indazole-3-diazonium,6-chloro- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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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