Cas no 14273-78-0 (Pyrimidine,2,4,6-trichloro-5-(1-methylpropyl)-)
14273-78-0 structure
Product Name:Pyrimidine,2,4,6-trichloro-5-(1-methylpropyl)-
CAS No:14273-78-0
MF:C8H9Cl3N2
MW:239.529458761215
CID:190508
PubChem ID:260781
Update Time:2025-04-19
Pyrimidine,2,4,6-trichloro-5-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-butan-2-yl-2,4,6-trichloropyrimidine
- Pyrimidine,2,4,6-trichloro-5-(1-methylpropyl)-
- 5-(butan-2-yl)-2,4,6-trichloropyrimidine
- 5-sec-butyl-2,4,6-trichloro-pyrimidine
- 5-sec-Butyl-2,4,6-trichlor-pyrimidin
- AC1L63UY
- AC1Q3PQB
- AG-K-88910
- AR-1G5474
- CTK4C3261
- NCIOpen2_005931
- NSC92495
- CHEMBL1991489
- DTXSID20293816
- NSC-92495
- 14273-78-0
- NCI60_042046
-
- Inchi： 1S/C8H9Cl3N2/c1-3-4(2)5-6(9)12-8(11)13-7(5)10/h4H,3H2,1-2H3
- InChI Key： UMJHCDWEUQUBNJ-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(N=1)Cl)Cl)C(C)CC
Computed Properties
- Exact Mass: 237.98337
- Monoisotopic Mass: 237.983131g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
- LogP: 3.95030
Pyrimidine,2,4,6-trichloro-5-(1-methylpropyl)- Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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