Cas no 478647-02-8 (7-Isoquinolinesulfonyl chloride, 3-chloro-)
478647-02-8 structure
Product Name:7-Isoquinolinesulfonyl chloride, 3-chloro-
CAS No:478647-02-8
MF:C9H5Cl2NO2S
MW:262.112498998642
CID:3997515
PubChem ID:22017184
Update Time:2025-04-22
7-Isoquinolinesulfonyl chloride, 3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 7-Isoquinolinesulfonyl chloride, 3-chloro-
- DTXSID801275763
- 478647-02-8
- 3-Chloro-7-isoquinolinesulfonyl chloride
- SCHEMBL5142837
-
- Inchi： 1S/C9H5Cl2NO2S/c10-9-4-6-1-2-8(15(11,13)14)3-7(6)5-12-9/h1-5H
- InChI Key： IOBCIDHYESEXKK-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC2C=C(N=CC=2C=1)Cl)(=O)=O
Computed Properties
- Exact Mass: 260.9418050g/mol
- Monoisotopic Mass: 260.9418050g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 328
- 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: 3.1
- Topological Polar Surface Area: 55.4?2
7-Isoquinolinesulfonyl chloride, 3-chloro- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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