Cas no 92847-37-5 ( )
structure
Product Name:
CAS No:92847-37-5
MF:C11H10ClNO2S
MW:255.720600605011
CID:867819
Update Time:2024-02-01
Chemical and Physical Properties
Names and Identifiers
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- 2-CHLORO-4-(2,4-DIMETHOXYPHENYL)THIAZOLE
- Thiazole, 2-chloro-4-(2,4-dimethoxyphenyl)-
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- Inchi： 1S/C11H10ClNO2S/c1-14-7-3-4-8(10(5-7)15-2)9-6-16-11(12)13-9/h3-6H,1-2H3
- InChI Key： CNBDKFBQLJXZLI-UHFFFAOYSA-N
- SMILES： S1C=C(C2=CC=C(OC)C=C2OC)N=C1Cl
Computed Properties
- Exact Mass: 255.012
- Monoisotopic Mass: 255.012
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 232
- 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: 59.6A^2
Experimental Properties
- Density: 1.295±0.06 g/cm3(Predicted)
- Boiling Point: 375.4±52.0 °C(Predicted)
- pka: -0.07±0.10(Predicted)
Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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