Cas no 108025-08-7 (Methanone, [4-(4-chlorophenoxy)phenyl]-5-pyrimidinyl-)
108025-08-7 structure
Product Name:Methanone, [4-(4-chlorophenoxy)phenyl]-5-pyrimidinyl-
CAS No:108025-08-7
MF:C17H11ClN2O2
MW:310.734442949295
CID:1184959
PubChem ID:76849945
Update Time:2025-04-20
Methanone, [4-(4-chlorophenoxy)phenyl]-5-pyrimidinyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, [4-(4-chlorophenoxy)phenyl]-5-pyrimidinyl-
- methanone,[4-(4-chlorophenoxy)phenyl]-5-pyrimidinyl-
- 108025-08-7
-
- Inchi: 1S/C17H11ClN2O2/c18-14-3-7-16(8-4-14)22-15-5-1-12(2-6-15)17(21)13-9-19-11-20-10-13/h1-11H
- InChI Key: WVOPSWSEUFWNIY-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)OC1C=CC(C(C2=CN=CN=C2)=O)=CC=1
Computed Properties
- Exact Mass: 310.05103
- Monoisotopic Mass: 310.0509053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 358
- 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: 3.7
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 52.08
Methanone, [4-(4-chlorophenoxy)phenyl]-5-pyrimidinyl- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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