Cas no 617716-28-6 (Pyrimidine, 4,5,6-trichloro-2-cyclopropyl-)
617716-28-6 structure
Product Name:Pyrimidine, 4,5,6-trichloro-2-cyclopropyl-
CAS No:617716-28-6
MF:C7H5Cl3N2
MW:223.486998319626
CID:4070277
PubChem ID:10236120
Update Time:2025-04-22
Pyrimidine, 4,5,6-trichloro-2-cyclopropyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4,5,6-trichloro-2-cyclopropyl-
- 617716-28-6
- 4,5,6-trichloro-2-cyclopropylpyrimidine
- DB-194816
- SCHEMBL4427265
-
- Inchi： 1S/C7H5Cl3N2/c8-4-5(9)11-7(3-1-2-3)12-6(4)10/h3H,1-2H2
- InChI Key： HCCZBOPLLOWSIG-UHFFFAOYSA-N
- SMILES： C1(C2CC2)=NC(Cl)=C(Cl)C(Cl)=N1
Computed Properties
- Exact Mass: 221.951831Da
- Monoisotopic Mass: 221.951831Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 162
- 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: 3.3
- Topological Polar Surface Area: 25.8?2
Pyrimidine, 4,5,6-trichloro-2-cyclopropyl- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
617716-28-6 (Pyrimidine, 4,5,6-trichloro-2-cyclopropyl-) Related Products
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