Cas no 70810-25-2 (Isoquinoline, 5-chloro-, 2-oxide)
70810-25-2 structure
Product Name:Isoquinoline, 5-chloro-, 2-oxide
CAS No:70810-25-2
MF:C9H6ClNO
MW:179.603041172028
CID:1746352
PubChem ID:21679660
Update Time:2025-04-21
Isoquinoline, 5-chloro-, 2-oxide Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 5-chloro-, 2-oxide
- 5-Chloroisoquinoline2-oxide
- 5-Chloroisoquinoline N-oxide
- 70810-25-2
- 5-Chloroisoquinoline 2-oxide
- VFCHIGGKTHAWDI-UHFFFAOYSA-N
- SCHEMBL5183808
-
- Inchi： 1S/C9H6ClNO/c10-9-3-1-2-7-6-11(12)5-4-8(7)9/h1-6H
- InChI Key： VFCHIGGKTHAWDI-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2C=[N+](C=CC=21)[O-]
Computed Properties
- Exact Mass: 179.01388
- Monoisotopic Mass: 179.0137915g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 165
- 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: 1.7
- Topological Polar Surface Area: 25.5?2
Experimental Properties
- PSA: 26.94
Isoquinoline, 5-chloro-, 2-oxide Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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