Cas no 19068-83-8 ( )
structure
Product Name:
CAS No:19068-83-8
MF:C12H11ClN2O2
MW:250.680941820145
CID:872470
PubChem ID:53440777
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 2-(4-chlorophenyl)-4,6-dimethoxypyrimidine
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- Inchi： 1S/C12H11ClN2O2/c1-16-10-7-11(17-2)15-12(14-10)8-3-5-9(13)6-4-8/h3-7H,1-2H3
- InChI Key： OJWCJZRJUADMSE-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1N=C(C=C(N=1)OC)OC
Computed Properties
- Exact Mass: 250.0509053g/mol
- Monoisotopic Mass: 250.0509053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 223
- 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: 3.1
- Topological Polar Surface Area: 44.2?2
Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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