Cas no 2259315-71-2 (6-chloropyrimidin-2,5-d2-4-ol)
6-chloropyrimidin-2,5-d2-4-ol structure
Product Name:6-chloropyrimidin-2,5-d2-4-ol
CAS No:2259315-71-2
MF:C4H3ClN2O
MW:132.544742822647
CID:6820935
PubChem ID:172402448
Update Time:2025-03-01
6-chloropyrimidin-2,5-d2-4-ol Chemical and Physical Properties
Names and Identifiers
-
- 6-chloropyrimidin-2,5-d2-4-ol
- 2259315-71-2
- CS-22071
-
- Inchi： 1S/C4H3ClN2O/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8)/i1D,2D
- InChI Key： AXFABVAPHSWFMD-QDNHWIQGSA-N
- SMILES： ClC1=C([2H])C(=NC([2H])=N1)O
Computed Properties
- Exact Mass: 132.0059439Da
- Monoisotopic Mass: 132.0059439Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 80.4
- 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: 1.1
- Topological Polar Surface Area: 46?2
6-chloropyrimidin-2,5-d2-4-ol Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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