Cas no 1408291-32-6 (1,5-dichloro-3-propoxyisoquinoline)
1408291-32-6 structure
Product Name:1,5-dichloro-3-propoxyisoquinoline
CAS No:1408291-32-6
MF:C12H11Cl2NO
MW:256.127841234207
CID:2111553
Update Time:2023-11-19
1,5-dichloro-3-propoxyisoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 1,5-dichloro-3-propoxyIsoquinoline
- VSCIQOZLOYYFBP-UHFFFAOYSA-N
- Isoquinoline, 1,5-dichloro-3-propoxy-
- CID 86683210
- 1,5-dichloro-3-propoxyisoquinoline
-
- Inchi： 1S/C12H11Cl2NO/c1-2-6-16-11-7-9-8(12(14)15-11)4-3-5-10(9)13/h3-5,7H,2,6H2,1H3
- InChI Key： VSCIQOZLOYYFBP-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2=C(N=C(C=C21)OCCC)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 227
- Topological Polar Surface Area: 22.1
Experimental Properties
- Density: 1.295±0.06 g/cm3(Predicted)
- Boiling Point: 367.9±37.0 °C(Predicted)
- pka: -0.50±0.50(Predicted)
1,5-dichloro-3-propoxyisoquinoline Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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