Cas no 83216-84-6 ( )
structure
Product Name:
CAS No:83216-84-6
MF:C12H11ClN2O
MW:234.68154168129
CID:875482
PubChem ID:53439985
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 4-chloro-6-methoxy-2-(4-methylphenyl)pyrimidine
- 83216-84-6
- DTXSID40702278
-
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- Inchi： 1S/C12H11ClN2O/c1-8-3-5-9(6-4-8)12-14-10(13)7-11(15-12)16-2/h3-7H,1-2H3
- InChI Key： JXPVEUYRAUIGPK-UHFFFAOYSA-N
- SMILES： ClC1C=C(N=C(C2C=CC(C)=CC=2)N=1)OC
Computed Properties
- Exact Mass: 234.0559907g/mol
- Monoisotopic Mass: 234.0559907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 219
- 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: 3.5
- Topological Polar Surface Area: 35?2
Related Literature
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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