Cas no 1001910-71-9 ()
structure
Product Name:
CAS No:1001910-71-9
MF:C11H8Cl3NO
MW:276.546319961548
CID:6768909
PubChem ID:68886389
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C11H8Cl3NO/c1-6-2-3-9-7(4-6)8(5-15-9)10(16)11(12,13)14/h2-5,15H,1H3
- InChI Key： KSYLMVWKBFHRFS-UHFFFAOYSA-N
- SMILES： ClC(C(C1=CNC2C=CC(C)=CC=21)=O)(Cl)Cl
Computed Properties
- Exact Mass: 274.967147g/mol
- Monoisotopic Mass: 274.967147g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 289
- 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: 4.5
- Topological Polar Surface Area: 32.9?2
Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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