Cas no 425394-83-8 (4-CHLORO-6-DIFLUOROMETHYL-5-METHYLPYRIMIDINE)
425394-83-8 structure
Product Name:4-CHLORO-6-DIFLUOROMETHYL-5-METHYLPYRIMIDINE
CAS No:425394-83-8
MF:C6H5ClF2N2
MW:178.567106962204
CID:2669888
PubChem ID:17856545
Update Time:2025-04-21
4-CHLORO-6-DIFLUOROMETHYL-5-METHYLPYRIMIDINE Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-6-(difluoromethyl)-5-methylpyrimidine
- 4-CHLORO-6-DIFLUOROMETHYL-5-METHYLPYRIMIDINE
- SCHEMBL1661085
- AKOS006314913
- 4-chloro-6-(1,1-difluoromethyl)-5-methylpyrimidine
- F1911-1944
- 425394-83-8
- DTXSID80591305
- AB54911
-
- Inchi： 1S/C6H5ClF2N2/c1-3-4(6(8)9)10-2-11-5(3)7/h2,6H,1H3
- InChI Key： CSCIHCBGOFEHOS-UHFFFAOYSA-N
- SMILES： ClC1=C(C)C(C(F)F)=NC=N1
Computed Properties
- Exact Mass: 178.0109322g/mol
- Monoisotopic Mass: 178.0109322g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 134
- 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: 2.2
- Topological Polar Surface Area: 25.8?2
4-CHLORO-6-DIFLUOROMETHYL-5-METHYLPYRIMIDINE Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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