Cas no 1197-30-4 (Pyrimidine,4,5,6-trichloro-2-ethyl-)
1197-30-4 structure
Product Name:Pyrimidine,4,5,6-trichloro-2-ethyl-
CAS No:1197-30-4
MF:C6H5Cl3N2
MW:211.476298093796
CID:147389
PubChem ID:249454
Update Time:2025-04-19
Pyrimidine,4,5,6-trichloro-2-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,4,5,6-trichloro-2-ethyl-
- 4,5,6-trichloro-2-ethylpyrimidine
- 2-Ethyl-4,5,6-trichlorpyrimidin
- 4,5,6-trichloro-2-ethyl-pyrimidine
- 5-Ethyl-2,4,6-trichlorpyrimidin
- AC1L6OI3
- AC1Q3PS6
- AG-K-72838
- AR-1F8264
- CTK4B1466
- NSC67798
- CHEMBL1997065
- DTXSID60290288
- NCI60_027870
- NSC-67798
- Pyrimidine, 4,5,6-trichloro-2-ethyl-
- 1197-30-4
-
- Inchi： 1S/C6H5Cl3N2/c1-2-3-10-5(8)4(7)6(9)11-3/h2H2,1H3
- InChI Key： CNDMVKVJWXVNBW-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC(CC)=N1)Cl)Cl
Computed Properties
- Exact Mass: 209.95205
- Monoisotopic Mass: 209.951831g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 121
- 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: 3.6
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrimidine,4,5,6-trichloro-2-ethyl- Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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