Cas no 357960-86-2 (Pyrimidine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-2-phenyl-)
357960-86-2 structure
Product Name:Pyrimidine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-2-phenyl-
CAS No:357960-86-2
MF:C13H4Cl4N2O7
MW:441.992059707642
CID:1472506
PubChem ID:3016080
Update Time:2025-04-20
Pyrimidine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-2-phenyl-
- LogP
- 4-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-methoxy-2-phenylpyrimidine
- Phenol,2,4-dichloro-5-nitro-, carbonate (2:1) (ester) (9CI)
- SCHEMBL11347001
- CVUDBPILLYLOSC-UHFFFAOYSA-N
- EINECS 254-471-4
- UNII-L2E3BJ6JBY
- DB-289477
- 39489-75-3
- DTXSID70192623
- EC 254-471-4
- NS00006970
- Bis-(2,4-dichloro-5-nitrophenyl)carbonate
- Bis(2,4-dichloro-5-nitrophenyl) carbonate
- L2E3BJ6JBY
- 357960-86-2
- W-110924
-
- Inchi： 1S/C13H4Cl4N2O7/c14-5-1-7(16)11(3-9(5)18(21)22)25-13(20)26-12-4-10(19(23)24)6(15)2-8(12)17/h1-4H
- InChI Key： CVUDBPILLYLOSC-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=CC=1OC(=O)OC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-])Cl
Computed Properties
- Exact Mass: 280.13258
- Monoisotopic Mass: 439.877261g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 512
- 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: 5.8
- Topological Polar Surface Area: 127?2
Experimental Properties
- PSA: 52.83
Pyrimidine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-2-phenyl- Related Literature
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
357960-86-2 (Pyrimidine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-2-phenyl-) Related Products
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