Cas no 146533-34-8 (Pyrimidine, 4,6-dichloro-5-[4-(1-methylethyl)phenyl]-)
146533-34-8 structure
Product Name:Pyrimidine, 4,6-dichloro-5-[4-(1-methylethyl)phenyl]-
CAS No:146533-34-8
MF:C13H12Cl2N2
MW:267.153780937195
CID:2106777
Update Time:2023-08-03
Pyrimidine, 4,6-dichloro-5-[4-(1-methylethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
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- 4,6-dichloro-5-(4-isopropylphenyl)pyrimidine
- Pyrimidine, 4,6-dichloro-5-[4-(1-methylethyl)phenyl]-
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- Inchi: 1S/C13H12Cl2N2/c1-8(2)9-3-5-10(6-4-9)11-12(14)16-7-17-13(11)15/h3-8H,1-2H3
- InChI Key: QQLKFHZRZDELDQ-UHFFFAOYSA-N
- SMILES: ClC1C(=C(N=CN=1)Cl)C1C=CC(=CC=1)C(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 230
- Topological Polar Surface Area: 25.8
Pyrimidine, 4,6-dichloro-5-[4-(1-methylethyl)phenyl]- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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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
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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