Cas no 650607-96-8 (Methanediol, (2-chloro-4-pyridinyl)-)
650607-96-8 structure
Product Name:Methanediol, (2-chloro-4-pyridinyl)-
CAS No:650607-96-8
MF:C6H6ClNO2
MW:159.570340633392
CID:408711
PubChem ID:9989512
Update Time:2025-04-19
Methanediol, (2-chloro-4-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanediol, (2-chloro-4-pyridinyl)-
- (2-chloropyridin-4-yl)methanediol
- DTXSID20433694
- 650607-96-8
-
- Inchi： 1S/C6H6ClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,6,9-10H
- InChI Key： BLPPXSJJLHMVGY-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CN=1)C(O)O
Computed Properties
- Exact Mass: 159.00878
- Monoisotopic Mass: 159.0087061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 110
- 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: 0.4
- Topological Polar Surface Area: 53.4?2
Experimental Properties
- PSA: 53.35
Methanediol, (2-chloro-4-pyridinyl)- Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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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
650607-96-8 (Methanediol, (2-chloro-4-pyridinyl)-) Related Products
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