Cas no 885521-98-2 (4-bromo-3-iodo-6-methyl-2h-indazole)
885521-98-2 structure
Product Name:4-bromo-3-iodo-6-methyl-2h-indazole
CAS No:885521-98-2
MF:C8H6BrIN2
MW:336.955112934113
CID:1928102
PubChem ID:24728802
Update Time:2025-04-21
4-bromo-3-iodo-6-methyl-2h-indazole Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-3-iodo-6-methyl-2h-indazole
- 4-BROMO-3-IODO-6-METHYL-(1H)INDAZOLE
- 4-bromo-3-iodo-6-methyl-1H-Indazole
- DTXSID50646497
- DB-077988
- 885521-98-2
-
- Inchi： 1S/C8H6BrIN2/c1-4-2-5(9)7-6(3-4)11-12-8(7)10/h2-3H,1H3,(H,11,12)
- InChI Key： IRNKFXXHDGUUMU-UHFFFAOYSA-N
- SMILES： IC1=C2C(=CC(C)=CC2=NN1)Br
Computed Properties
- Exact Mass: 335.876
- Monoisotopic Mass: 335.876
- 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
- Topological Polar Surface Area: 28.7A^2
- XLogP3: 3.3
4-bromo-3-iodo-6-methyl-2h-indazole Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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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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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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