Cas no 1830332-50-7 (6-chloro-9H-purine-2,8-d2)
6-chloro-9H-purine-2,8-d2 structure
Product Name:6-chloro-9H-purine-2,8-d2
CAS No:1830332-50-7
MF:C5H3ClN4
MW:156.569442033768
CID:6827911
PubChem ID:172403612
Update Time:2025-03-06
6-chloro-9H-purine-2,8-d2 Chemical and Physical Properties
Names and Identifiers
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- 1830332-50-7
- 6-chloro-9H-purine-2,8-d2
- CS-26196
-
- Inchi： 1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)/i1D,2D
- InChI Key： ZKBQDFAWXLTYKS-QDNHWIQGSA-N
- SMILES： ClC1=C2C(=NC([2H])=N2)N=C([2H])N1
Computed Properties
- Exact Mass: 156.0171773Da
- Monoisotopic Mass: 156.0171773Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 131
- 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: 0.8
- Topological Polar Surface Area: 54.5?2
6-chloro-9H-purine-2,8-d2 Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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