Cas no 66744-01-2 ( )
structure
Product Name:
CAS No:66744-01-2
MF:C11H8Cl2N2
MW:239.100620269775
CID:868976
PubChem ID:17606438
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 4-chloro-2-(4-chlorophenyl)-6-methylpyrimidine
- DTXSID30589792
- AKOS000284116
- 66744-01-2
-
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- Inchi： 1S/C11H8Cl2N2/c1-7-6-10(13)15-11(14-7)8-2-4-9(12)5-3-8/h2-6H,1H3
- InChI Key： CYDPRYLZGJOXLS-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1N=C(C=C(C)N=1)Cl
Computed Properties
- Exact Mass: 238.006
- Monoisotopic Mass: 238.006
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 205
- 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: 25.8A^2
- XLogP3: 3.9
Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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