Cas no 146781-78-4 (2H-Pyrrolo[3,2-f]-1,2-benzisoxazole(9CI))
![2H-Pyrrolo[3,2-f]-1,2-benzisoxazole(9CI) structure](https://ossimg.kuujia.com/scimg/147000/146781-78-4x500.png)
146781-78-4 structure
Product Name:2H-Pyrrolo[3,2-f]-1,2-benzisoxazole(9CI)
CAS No:146781-78-4
MF:C9H6N2O
MW:158.15674161911
CID:101024
PubChem ID:57357530
Update Time:2025-04-18
2H-Pyrrolo[3,2-f]-1,2-benzisoxazole(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrrolo[3,2-f]-1,2-benzisoxazole(9CI)
- 2H-pyrrolo[3,2-f][1,2]benzoxazole
- 2H-Isoxazolo[4,5-f]indole
- DTXSID70723714
- 2H-[1,2]OXAZOLO[4,5-F]INDOLE
- 146781-78-4
- DB-261170
- 2h-pyrrolo[3,2-f]-1,2-benzisoxazole
-
- Inchi： 1S/C9H6N2O/c1-2-10-8-4-9-7(3-6(1)8)5-11-12-9/h1-5,11H
- InChI Key： YLAGZBOLCBLICY-UHFFFAOYSA-N
- SMILES： O1C2=CC3C(C=CN=3)=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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1.7
- Topological Polar Surface Area: 33.6?2
Experimental Properties
- PSA: 33.62
2H-Pyrrolo[3,2-f]-1,2-benzisoxazole(9CI) Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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