Cas no 132066-24-1 ( )
structure
Product Name:
CAS No:132066-24-1
MF:C6H6F2N2O3
MW:192.120248317719
CID:867744
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 4-Isoxazolecarboxylicacid,5-amino-3-(difluoromethyl)-,methylester(9CI)
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- Inchi: 1S/C6H6F2N2O3/c1-12-6(11)2-3(4(7)8)10-13-5(2)9/h4H,9H2,1H3
- InChI Key: UUHKPQGXGSZNAY-UHFFFAOYSA-N
- SMILES: O1C(N)=C(C(OC)=O)C(C(F)F)=N1
Computed Properties
- Exact Mass: 192.035
- Monoisotopic Mass: 192.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 202
- 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: 78.4A^2
Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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