Cas no 1060816-70-7 (6-Chloro-2-fluoro-8-methyl-9H-purine)
1060816-70-7 structure
Product Name:6-Chloro-2-fluoro-8-methyl-9H-purine
CAS No:1060816-70-7
MF:C6H4ClFN4
MW:186.574162483215
CID:2624161
PubChem ID:72212342
Update Time:2025-04-21
6-Chloro-2-fluoro-8-methyl-9H-purine Chemical and Physical Properties
Names and Identifiers
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- AB68390
- 1060816-70-7
- 6-CHLORO-2-FLUORO-8-METHYL-9H-PURINE
- 6-Chloro-2-fluoro-8-methyl-9H-purine
-
- Inchi： 1S/C6H4ClFN4/c1-2-9-3-4(7)11-6(8)12-5(3)10-2/h1H3,(H,9,10,11,12)
- InChI Key： OZIWTUHXNSLARL-UHFFFAOYSA-N
- SMILES： ClC1C2=C(N=C(N=1)F)N=C(C)N2
Computed Properties
- Exact Mass: 186.0108520Da
- Monoisotopic Mass: 186.0108520Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 181
- 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: 1.9
- Topological Polar Surface Area: 54.5?2
6-Chloro-2-fluoro-8-methyl-9H-purine Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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