Cas no 916480-92-7 (2,4-Dichloro-5-(1,3-dioxolan-2-yl)-6-isopropylpyrimidine)
916480-92-7 structure
Product Name:2,4-Dichloro-5-(1,3-dioxolan-2-yl)-6-isopropylpyrimidine
CAS No:916480-92-7
MF:C10H12Cl2N2O2
MW:263.120480537415
CID:2192048
PubChem ID:77230164
Update Time:2025-04-21
2,4-Dichloro-5-(1,3-dioxolan-2-yl)-6-isopropylpyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Dichloro-5-(1,3-dioxolan-2-yl)-6-isopropylpyrimidine
- SCHEMBL4615753
- 916480-92-7
- DA-00983
-
- Inchi： 1S/C10H12Cl2N2O2/c1-5(2)7-6(9-15-3-4-16-9)8(11)14-10(12)13-7/h5,9H,3-4H2,1-2H3
- InChI Key： NSWLUTWQQMHXPB-UHFFFAOYSA-N
- SMILES： ClC1=C(C(C(C)C)=NC(=N1)Cl)C1OCCO1
Computed Properties
- Exact Mass: 262.0275830Da
- Monoisotopic Mass: 262.0275830Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 237
- 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: 2.7
- Topological Polar Surface Area: 44.2?2
2,4-Dichloro-5-(1,3-dioxolan-2-yl)-6-isopropylpyrimidine Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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