Cas no 1643537-37-4 (2-Chloro-4-(ethyl-d5)-1,3,5-triazine)
1643537-37-4 structure
Product Name:2-Chloro-4-(ethyl-d5)-1,3,5-triazine
CAS No:1643537-37-4
MF:C5H6ClN3
MW:148.605047702789
CID:6810299
PubChem ID:133552683
Update Time:2025-03-06
2-Chloro-4-(ethyl-d5)-1,3,5-triazine Chemical and Physical Properties
Names and Identifiers
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- CS-18638
- 1643537-37-4
- 2-Chloro-4-(ethyl-d5)-1,3,5-triazine
-
- Inchi： 1S/C5H6ClN3/c1-2-4-7-3-8-5(6)9-4/h3H,2H2,1H3/i1D3,2D2
- InChI Key： KFQDAKDXNJLACI-ZBJDZAJPSA-N
- SMILES： ClC1=NC=NC(C([2H])([2H])C([2H])([2H])[2H])=N1
Computed Properties
- Exact Mass: 148.0564086Da
- Monoisotopic Mass: 148.0564086Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 88.3
- 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: 1.8
- Topological Polar Surface Area: 38.7?2
2-Chloro-4-(ethyl-d5)-1,3,5-triazine Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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