Cas no 1172518-39-6 (1-(2,2-Difluoro-ethyl)-3-methyl-5-nitro-1H-pyrazole)
1172518-39-6 structure
Product Name:1-(2,2-Difluoro-ethyl)-3-methyl-5-nitro-1H-pyrazole
CAS No:1172518-39-6
MF:C6H7F2N3O2
MW:191.135487794876
CID:3158863
PubChem ID:25247562
Update Time:2025-04-21
1-(2,2-Difluoro-ethyl)-3-methyl-5-nitro-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,2-Difluoro-ethyl)-3-methyl-5-nitro-1H-pyrazole
- 1-(2,2-difluoroethyl)-3-methyl-5-nitro-1H-pyrazole
- AKOS015922517
- STK351798
- QKRUDJNRRGYUTC-UHFFFAOYSA-N
- 1172518-39-6
- AKOS005167533
- SCHEMBL21960948
-
- Inchi： 1S/C6H7F2N3O2/c1-4-2-6(11(12)13)10(9-4)3-5(7)8/h2,5H,3H2,1H3
- InChI Key： QKRUDJNRRGYUTC-UHFFFAOYSA-N
- SMILES： FC(CN1C(=CC(C)=N1)[N+](=O)[O-])F
Computed Properties
- Exact Mass: 191.05063280Da
- Monoisotopic Mass: 191.05063280Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 197
- 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: 1.6
- Topological Polar Surface Area: 63.6?2
1-(2,2-Difluoro-ethyl)-3-methyl-5-nitro-1H-pyrazole Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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