Cas no 61655-96-7 (1H-Indazole, 5,6,7-trichloro-)
1H-Indazole, 5,6,7-trichloro- structure
Product Name:1H-Indazole, 5,6,7-trichloro-
CAS No:61655-96-7
MF:C7H3Cl3N2
MW:221.471118211746
CID:471191
PubChem ID:20323881
Update Time:2025-04-19
1H-Indazole, 5,6,7-trichloro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole, 5,6,7-trichloro-
- 5,6,7-trichloro-1H-indazole
- SCHEMBL11576985
- DTXSID50605307
- 61655-96-7
-
- Inchi： 1S/C7H3Cl3N2/c8-4-1-3-2-11-12-7(3)6(10)5(4)9/h1-2H,(H,11,12)
- InChI Key： XBVFSIQBDHJWOP-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC2C=NNC=21)Cl)Cl
Computed Properties
- Exact Mass: 219.93639
- Monoisotopic Mass: 219.936181g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 178
- 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: 3.4
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.68
1H-Indazole, 5,6,7-trichloro- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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