Cas no 887568-27-6 (3,6-dichloro-4-iodo-1h-indazole)
887568-27-6 structure
Product Name:3,6-dichloro-4-iodo-1h-indazole
CAS No:887568-27-6
MF:C7H3Cl2IN2
MW:312.92259144783
CID:1929640
PubChem ID:24728472
Update Time:2025-04-21
3,6-dichloro-4-iodo-1h-indazole Chemical and Physical Properties
Names and Identifiers
-
- 3,6-Dichloro-4-iodo-1H-indazole
- 3,6-DICHLORO-4-IODO (1H)INDAZOLE
- 887568-27-6
- 3,6-dichloro-4-iodo-2H-indazole
- 3,6-dichloro-4-iodo-1h-indazole
-
- Inchi： 1S/C7H3Cl2IN2/c8-3-1-4(10)6-5(2-3)11-12-7(6)9/h1-2H,(H,11,12)
- InChI Key： VRRUUQXZWHUGKD-UHFFFAOYSA-N
- SMILES： IC1=CC(=CC2C1=C(NN=2)Cl)Cl
Computed Properties
- Exact Mass: 311.87180Da
- Monoisotopic Mass: 311.87180Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 181
- 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: 3.8
- Topological Polar Surface Area: 28.7?2
3,6-dichloro-4-iodo-1h-indazole Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
887568-27-6 (3,6-dichloro-4-iodo-1h-indazole) Related Products
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