Cas no 118716-69-1 (2H-Pyrrolo[3,4-f]-1,2-benzisoxazole(9CI))
![2H-Pyrrolo[3,4-f]-1,2-benzisoxazole(9CI) structure](https://ossimg.kuujia.com/scimg/119000/118716-69-1x500.png)
118716-69-1 structure
Product Name:2H-Pyrrolo[3,4-f]-1,2-benzisoxazole(9CI)
CAS No:118716-69-1
MF:C9H6N2O
MW:158.15674161911
CID:131938
PubChem ID:57357383
Update Time:2025-04-19
2H-Pyrrolo[3,4-f]-1,2-benzisoxazole(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrrolo[3,4-f]-1,2-benzisoxazole(9CI)
- 2H-pyrrolo[3,4-f][1,2]benzoxazole
- 2H-Isoxazolo[4,5-f]isoindole
- 118716-69-1
- DTXSID40723660
- 2H-[1,2]OXAZOLO[4,5-F]ISOINDOLE
-
- Inchi： 1S/C9H6N2O/c1-6-3-10-4-7(6)2-9-8(1)5-11-12-9/h1-5,11H
- InChI Key： IHNIIKPBHXVHNR-UHFFFAOYSA-N
- SMILES： O1C2=CC3=CN=CC3=CC2=CN1
Computed Properties
- Exact Mass: 158.048012819g/mol
- 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
2H-Pyrrolo[3,4-f]-1,2-benzisoxazole(9CI) Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
118716-69-1 (2H-Pyrrolo[3,4-f]-1,2-benzisoxazole(9CI)) Related Products
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