Cas no 1146036-77-2 (6,7-difluoro-3-methyl-2H-Indazole)
1146036-77-2 structure
Product Name:6,7-difluoro-3-methyl-2H-Indazole
CAS No:1146036-77-2
MF:C8H6F2N2
MW:168.143448352814
CID:1099731
Update Time:2024-07-25
6,7-difluoro-3-methyl-2H-Indazole Chemical and Physical Properties
Names and Identifiers
-
- 6,7-difluoro-3-methyl-2H-Indazole
- 2H-Indazole, 6,7-difluoro-3-methyl-
-
- Inchi： 1S/C8H6F2N2/c1-4-5-2-3-6(9)7(10)8(5)12-11-4/h2-3H,1H3,(H,11,12)
- InChI Key： QTZWOMIKPDFVQY-UHFFFAOYSA-N
- SMILES： N1=C2C(C=CC(F)=C2F)=C(C)N1
Computed Properties
- Exact Mass: 168.05
- Monoisotopic Mass: 168.05
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 176
- 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
Experimental Properties
- Density: 1.403±0.06 g/cm3(Predicted)
- Boiling Point: 120.9±40.0 °C(Predicted)
- PSA: 28.68000
- LogP: 2.14950
- pka: 12.74±0.30(Predicted)
6,7-difluoro-3-methyl-2H-Indazole Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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