Cas no 850608-88-7 (Phosphoric acid;6-(trifluoromethoxy)-1,3-benzothiazol-2-amine)
850608-88-7 structure
Product Name:Phosphoric acid;6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CAS No:850608-88-7
MF:C8H8F3N2O5PS
MW:332.19349193573
CID:2807196
PubChem ID:71406484
Update Time:2025-04-21
Phosphoric acid;6-(trifluoromethoxy)-1,3-benzothiazol-2-amine Chemical and Physical Properties
Names and Identifiers
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- 850608-88-7
- Phosphoric acid--6-(trifluoromethoxy)-1,3-benzothiazol-2-amine (1/1)
- DTXSID40827091
- Phosphoric acid;6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
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- Inchi： 1S/C8H5F3N2OS.H3O4P/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5;1-5(2,3)4/h1-3H,(H2,12,13);(H3,1,2,3,4)
- InChI Key： GRQKIONCTAKLSQ-UHFFFAOYSA-N
- SMILES： S1C(N)=NC2C=CC(=CC1=2)OC(F)(F)F.P(=O)(O)(O)O
Computed Properties
- Exact Mass: 331.98436402Da
- Monoisotopic Mass: 331.98436402Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 288
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 154?2
Phosphoric acid;6-(trifluoromethoxy)-1,3-benzothiazol-2-amine Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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