Cas no 1409950-63-5 (1-chloro-6-ethoxy-4-methoxyisoquinoline)
1409950-63-5 structure
Product Name:1-chloro-6-ethoxy-4-methoxyisoquinoline
CAS No:1409950-63-5
MF:C12H12ClNO2
MW:237.682182312012
CID:2111780
Update Time:2023-11-19
1-chloro-6-ethoxy-4-methoxyisoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 1-chloro-6-ethoxy-4-methoxyIsoquinoline
- ZPULWFMWARBLOG-UHFFFAOYSA-N
- Isoquinoline, 1-chloro-6-ethoxy-4-methoxy-
- CID 86683194
- 1-chloro-6-ethoxy-4-methoxyisoquinoline
-
- Inchi： 1S/C12H12ClNO2/c1-3-16-8-4-5-9-10(6-8)11(15-2)7-14-12(9)13/h4-7H,3H2,1-2H3
- InChI Key： ZPULWFMWARBLOG-UHFFFAOYSA-N
- SMILES： ClC1C2C=CC(=CC=2C(=CN=1)OC)OCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 227
- Topological Polar Surface Area: 31.4
Experimental Properties
- Density: 1.230±0.06 g/cm3(Predicted)
- Boiling Point: 382.3±37.0 °C(Predicted)
- pka: 2.48±0.39(Predicted)
1-chloro-6-ethoxy-4-methoxyisoquinoline Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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