Cas no 57987-76-5 (Isoquinoline, 7,8-dichloro-, hydrochloride)
57987-76-5 structure
Product Name:Isoquinoline, 7,8-dichloro-, hydrochloride
CAS No:57987-76-5
MF:C9H6Cl3N
MW:234.509639263153
CID:343567
PubChem ID:12595063
Update Time:2025-04-19
Isoquinoline, 7,8-dichloro-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 7,8-dichloro-, hydrochloride
- 7,8-dichloroisoquinoline,hydrochloride
- SCHEMBL11737866
- 57987-76-5
- 7,8-Dichloroisoquinoline--hydrogen chloride (1/1)
- DTXSID00503763
- UOQQIHKVWJJIOJ-UHFFFAOYSA-N
- 7,8-dichloroisoquinoline hydrochloride
-
- Inchi： 1S/C9H5Cl2N.ClH/c10-8-2-1-6-3-4-12-5-7(6)9(8)11;/h1-5H;1H
- InChI Key： UOQQIHKVWJJIOJ-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC2C=CN=CC=21)Cl.Cl
Computed Properties
- Exact Mass: 232.95678
- Monoisotopic Mass: 232.956582g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 163
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89
Isoquinoline, 7,8-dichloro-, hydrochloride Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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