Cas no 86984-19-2 (2,4,5-trichloro-6-phenylpyrimidine)
86984-19-2 structure
Product Name:2,4,5-trichloro-6-phenylpyrimidine
CAS No:86984-19-2
MF:C10H5Cl3N2
MW:259.519098997116
CID:1858408
PubChem ID:243422
Update Time:2025-04-21
2,4,5-trichloro-6-phenylpyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 2,4,5-trichloro-6-phenylpyrimidine
- NSC53184
- 6-phenyl-2,4,5-trichloropyrimidine
- 2,4,5 -Trichlor -6-phenyl-pyrimidin
- CTK3E8780
- 2,4,5-trichloro-6-phenyl-pyrimidine
- AC1L6BJ1
- NCI60_004308
- AG-J-10337
- NSC-53184
- CHEMBL1991696
- 86984-19-2
- DTXSID60287895
- DTXCID70239042
-
- Inchi： 1S/C10H5Cl3N2/c11-7-8(6-4-2-1-3-5-6)14-10(13)15-9(7)12/h1-5H
- InChI Key： SWSUERHELGJKRQ-UHFFFAOYSA-N
- SMILES： ClC1=C(N=C(N=C1C1C=CC=CC=1)Cl)Cl
Computed Properties
- Exact Mass: 257.951831Da
- Monoisotopic Mass: 257.951831Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 209
- 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: 4.4
- Topological Polar Surface Area: 25.8?2
2,4,5-trichloro-6-phenylpyrimidine Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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