Cas no 1198016-59-9 (3-Pyridinecarboxaldehyde, 5-chloro-6-(1-hydroxyethyl)-)
1198016-59-9 structure
Product Name:3-Pyridinecarboxaldehyde, 5-chloro-6-(1-hydroxyethyl)-
CAS No:1198016-59-9
MF:C8H8ClNO2
MW:185.607621192932
CID:2114992
Update Time:2023-08-04
3-Pyridinecarboxaldehyde, 5-chloro-6-(1-hydroxyethyl)- Chemical and Physical Properties
Names and Identifiers
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- 5-chloro-6-(1-hydroxyethyl)nicotinaldehyde
- 3-Pyridinecarboxaldehyde, 5-chloro-6-(1-hydroxyethyl)-
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- Inchi: 1S/C8H8ClNO2/c1-5(12)8-7(9)2-6(4-11)3-10-8/h2-5,12H,1H3
- InChI Key: ZOWDALAXIOBTGG-UHFFFAOYSA-N
- SMILES: ClC1=CC(C=O)=CN=C1C(C)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 165
- Topological Polar Surface Area: 50.2
3-Pyridinecarboxaldehyde, 5-chloro-6-(1-hydroxyethyl)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jason Wan Lab Chip, 2020,20, 4528-4538
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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