Cas no 1199-53-7 (Pyrimidine,4,5,6-trichloro-2-(1-methylethyl)-)
1199-53-7 structure
Product Name:Pyrimidine,4,5,6-trichloro-2-(1-methylethyl)-
CAS No:1199-53-7
MF:C7H7Cl3N2
MW:225.502878427505
CID:210161
PubChem ID:249014
Update Time:2025-04-19
Pyrimidine,4,5,6-trichloro-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,4,5,6-trichloro-2-(1-methylethyl)-
- 2-Isopropyl-4,5,6-trichlorpyrimidin
- 4,5,6-trichloro-2-(propan-2-yl)pyrimidine
- 4,5,6-trichloro-2-isopropyl-pyrimidine
- AC1L6NKT
- AG-K-79856
- CTK6A6025
- NCI60_024089
- NSC66916
- CHEMBL1970224
- 1199-53-7
- NSC-66916
- 4,5,6-trichloro-2-propan-2-ylpyrimidine
- 4,5,6-TRICHLORO-2-ISOPROPYLPYRIMIDINE
- DTXSID80290129
-
- Inchi： 1S/C7H7Cl3N2/c1-3(2)7-11-5(9)4(8)6(10)12-7/h3H,1-2H3
- InChI Key： ATGYGVVUZSGNKF-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC(C(C)C)=N1)Cl)Cl
Computed Properties
- Exact Mass: 223.967
- Monoisotopic Mass: 223.967
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 142
- 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: 3.9
- Topological Polar Surface Area: 25.8?2
Pyrimidine,4,5,6-trichloro-2-(1-methylethyl)- Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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