Cas no 14077-71-5 (Pyrimidine,2,4,6-trichloro-5-heptyl-)
14077-71-5 structure
Product Name:Pyrimidine,2,4,6-trichloro-5-heptyl-
CAS No:14077-71-5
MF:C11H15Cl3N2
MW:281.609199762344
CID:171006
PubChem ID:260791
Update Time:2025-04-19
Pyrimidine,2,4,6-trichloro-5-heptyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,2,4,6-trichloro-5-heptyl-
- 2,4,6-trichloro-5-heptylpyrimidine
- 2,4,6-trichloro-5-heptyl-pyrimidine
- AC1L63VS
- AC1Q3PQJ
- AR-1L2800
- CTK4C2343
- NSC92506
- Pyrimidine,4,6-trichloro-5-heptyl-
- DTXSID50293824
- CHEMBL1969370
- 14077-71-5
- NCI60_042051
- NSC-92506
- SCHEMBL24113990
-
- Inchi： 1S/C11H15Cl3N2/c1-2-3-4-5-6-7-8-9(12)15-11(14)16-10(8)13/h2-7H2,1H3
- InChI Key： NIOGDGYWVRUKRP-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(N=1)Cl)Cl)CCCCCCC
Computed Properties
- Exact Mass: 280.03035
- Monoisotopic Mass: 280.030082g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 180
- 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: 6.6
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrimidine,2,4,6-trichloro-5-heptyl- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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