Cas no 1409965-30-5 (1,5-dichloro-4-isopropoxyisoquinoline)
1409965-30-5 structure
Product Name:1,5-dichloro-4-isopropoxyisoquinoline
CAS No:1409965-30-5
MF:C12H11Cl2NO
MW:256.127841234207
CID:2111556
Update Time:2023-11-19
1,5-dichloro-4-isopropoxyisoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 1,5-dichloro-4-isopropoxyisoquinoline
- SRMOEPJOLGJYQB-UHFFFAOYSA-N
- Isoquinoline, 1,5-dichloro-4-(1-methylethoxy)-
- CID 89156912
-
- Inchi： 1S/C12H11Cl2NO/c1-7(2)16-10-6-15-12(14)8-4-3-5-9(13)11(8)10/h3-7H,1-2H3
- InChI Key： SRMOEPJOLGJYQB-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2=C(N=CC(=C21)OC(C)C)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 237
- Topological Polar Surface Area: 22.1
Experimental Properties
- Density: 1.293±0.06 g/cm3(Predicted)
- Boiling Point: 380.8±37.0 °C(Predicted)
- pka: 1.29±0.44(Predicted)
1,5-dichloro-4-isopropoxyisoquinoline Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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