Cas no 27629-48-7 (Isoxazolo[4,3-f]quinoxaline(8CI,9CI))
![Isoxazolo[4,3-f]quinoxaline(8CI,9CI) structure](https://ossimg.kuujia.com/scimg/28000/27629-48-7x500.png)
27629-48-7 structure
Product Name:Isoxazolo[4,3-f]quinoxaline(8CI,9CI)
CAS No:27629-48-7
MF:C9H5N3O
MW:171.155501127243
CID:251320
PubChem ID:45121585
Update Time:2025-04-19
Isoxazolo[4,3-f]quinoxaline(8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Isoxazolo[4,3-f]quinoxaline(8CI,9CI)
- [1,2]oxazolo[4,3-f]quinoxaline
- 27629-48-7
- DTXSID70669204
- Isoxazolo[4,3-f]quinoxaline
- isoxazoloquinoxaline
-
- Inchi： 1S/C9H5N3O/c1-2-8-9(11-4-3-10-8)6-5-13-12-7(1)6/h1-5H
- InChI Key： JWYUEPRVYWDZEQ-UHFFFAOYSA-N
- SMILES： O1C=C2C(C=CC3C2=NC=CN=3)=N1
Computed Properties
- Exact Mass: 171.04335
- Monoisotopic Mass: 171.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 199
- 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
- Topological Polar Surface Area: 51.8A^2
- XLogP3: 1
Experimental Properties
- PSA: 51.81
Isoxazolo[4,3-f]quinoxaline(8CI,9CI) Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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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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