Cas no 885522-42-9 (3-bromo-6-chloro-4-methyl-2H-indazole)
885522-42-9 structure
Product Name:3-bromo-6-chloro-4-methyl-2H-indazole
CAS No:885522-42-9
MF:C8H6BrClN2
MW:245.503639698029
CID:2811387
PubChem ID:24728369
Update Time:2025-04-21
3-bromo-6-chloro-4-methyl-2H-indazole Chemical and Physical Properties
Names and Identifiers
-
- 3-bromo-6-chloro-4-methyl-2H-indazole
- 3-BROMO-6-CHLORO-4-METHYLINDAZOLE
- 885522-42-9
- 3-Bromo-6-chloro-4-methyl-1H-indazole
- DTXSID00646386
-
- Inchi： 1S/C8H6BrClN2/c1-4-2-5(10)3-6-7(4)8(9)12-11-6/h2-3H,1H3,(H,11,12)
- InChI Key： GJFHHIKRDSHLMY-UHFFFAOYSA-N
- SMILES： BrC1=C2C(C=C(C=C2C)Cl)=NN1
Computed Properties
- Exact Mass: 243.94029Da
- Monoisotopic Mass: 243.94029Da
- 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: 3.6
- Topological Polar Surface Area: 28.7?2
3-bromo-6-chloro-4-methyl-2H-indazole Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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