Cas no 146533-39-3 (4,6-dichloro-5-(p-ethylphenyl)pyrimidine)
146533-39-3 structure
Product Name:4,6-dichloro-5-(p-ethylphenyl)pyrimidine
CAS No:146533-39-3
MF:C12H10Cl2N2
MW:253.127200603485
CID:2106778
PubChem ID:19735468
Update Time:2025-04-21
4,6-dichloro-5-(p-ethylphenyl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4,6-dichloro-5-(p-ethylphenyl)pyrimidine
- 146533-39-3
- DA-21918
- SCHEMBL9052388
-
- Inchi： 1S/C12H10Cl2N2/c1-2-8-3-5-9(6-4-8)10-11(13)15-7-16-12(10)14/h3-7H,2H2,1H3
- InChI Key： VDCJHSGLCDHLTK-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=CN=1)Cl)C1C=CC(=CC=1)CC
Computed Properties
- Exact Mass: 252.0221037Da
- Monoisotopic Mass: 252.0221037Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 207
- 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: 4.5
- Topological Polar Surface Area: 25.8?2
4,6-dichloro-5-(p-ethylphenyl)pyrimidine Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
146533-39-3 (4,6-dichloro-5-(p-ethylphenyl)pyrimidine) Related Products
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