Cas no 91395-18-5 (9h-purine, 9-benzyl-6,8-dichloro-)
91395-18-5 structure
Product Name:9h-purine, 9-benzyl-6,8-dichloro-
CAS No:91395-18-5
MF:C12H8Cl2N4
MW:279.124719619751
CID:861160
PubChem ID:245264
Update Time:2025-04-19
9h-purine, 9-benzyl-6,8-dichloro- Chemical and Physical Properties
Names and Identifiers
-
- 9h-purine, 9-benzyl-6,8-dichloro-
- 9-benzyl-6,8-dichloropurine
- DTXSID30288632
- NSC-57006
- NSC57006
- 9-Benzyl-6,8-dichloro-9H-purine
- 91395-18-5
-
- Inchi： 1S/C12H8Cl2N4/c13-10-9-11(16-7-15-10)18(12(14)17-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
- InChI Key： UJISOIMQMJRAFD-UHFFFAOYSA-N
- SMILES： ClC1=NC2C(=NC=NC=2N1CC1C=CC=CC=1)Cl
Computed Properties
- Exact Mass: 278.0126017g/mol
- Monoisotopic Mass: 278.0126017g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 285
- 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: 3.6
- Topological Polar Surface Area: 43.6?2
9h-purine, 9-benzyl-6,8-dichloro- Related Literature
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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3. Agricultural
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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