Cas no 146781-77-3 (2H-Pyrrolo[2,3-f]-1,2-benzisoxazole(9CI))
![2H-Pyrrolo[2,3-f]-1,2-benzisoxazole(9CI) structure](https://ossimg.kuujia.com/scimg/147000/146781-77-3x500.png)
146781-77-3 structure
Product Name:2H-Pyrrolo[2,3-f]-1,2-benzisoxazole(9CI)
CAS No:146781-77-3
MF:C9H6N2O
MW:158.15674161911
CID:101025
PubChem ID:57357529
Update Time:2025-04-18
2H-Pyrrolo[2,3-f]-1,2-benzisoxazole(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrrolo[2,3-f]-1,2-benzisoxazole(9CI)
- 2H-pyrrolo[2,3-f][1,2]benzoxazole
- DTXSID10723713
- 2H-[1,2]OXAZOLO[5,4-F]INDOLE
- 146781-77-3
- 2H-Isoxazolo[5,4-f]indole
-
- Inchi： 1S/C9H6N2O/c1-2-10-8-3-7-5-11-12-9(7)4-6(1)8/h1-5,11H
- InChI Key： ORIDJTRYSZAGJB-UHFFFAOYSA-N
- SMILES： O1C2=CC3=CC=NC3=CC2=CN1
Computed Properties
- Exact Mass: 158.04808
- Monoisotopic Mass: 158.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 397
- 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: 33.6?2
Experimental Properties
- PSA: 33.62
2H-Pyrrolo[2,3-f]-1,2-benzisoxazole(9CI) Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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