Cas no 13388-76-6 (3-Chloro-6,8-dimethoxyisoquinoline)
13388-76-6 structure
Product Name:3-Chloro-6,8-dimethoxyisoquinoline
CAS No:13388-76-6
MF:C11H10ClNO2
MW:223.655601978302
CID:219746
PubChem ID:273528
Update Time:2025-04-19
3-Chloro-6,8-dimethoxyisoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 3-Chloro-6,8-dimethoxyisoquinoline
- Isoquinoline,3-chloro-6,8-dimethoxy-
- 3-Chlor-6,8-dimethoxyisochinolin
- 3-Chlor-6,8-dimethoxy-isochinolin
- 3-Chlor-6,8-dimethoxy-isoquinolin
- 3-Chlor-6,8-dimethoxyisoquinoline
- 3-chloro-6,8-dimethoxy-isoquinoline
- AC1L6TA6
- AC1Q3RZ0
- AG-D-69092
- AR-1F2651
- CTK4B8846
- NSC118815
- NSC-118815
- 13388-76-6
- DTXSID60297878
- 4-(4-CHLOROPHENYLMETHYL)-6,7-DIMETHOXY-ISOQUINOLINEMETHANESULFONATE(1:1)
- NSC 118815
-
- Inchi： 1S/C11H10ClNO2/c1-14-8-3-7-4-11(12)13-6-9(7)10(5-8)15-2/h3-6H,1-2H3
- InChI Key： BIULUAPDABAFAS-UHFFFAOYSA-N
- SMILES： ClC1=CC2C=C(C=C(C=2C=N1)OC)OC
Computed Properties
- Exact Mass: 223.0401
- Monoisotopic Mass: 223.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 215
- 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: 3
- Topological Polar Surface Area: 31.4?2
Experimental Properties
- Density: 1.265
- Boiling Point: 376.3°Cat760mmHg
- Flash Point: 181.4°C
- Refractive Index: 1.599
- PSA: 31.35
- LogP: 2.90540
3-Chloro-6,8-dimethoxyisoquinoline Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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