Cas no 106718-49-4 (2,1-Benzisoxazole,3-(1-methylethyl)-)
106718-49-4 structure
Product Name:2,1-Benzisoxazole,3-(1-methylethyl)-
CAS No:106718-49-4
MF:C10H11NO
MW:161.200442552567
CID:127277
PubChem ID:12559743
Update Time:2025-04-18
2,1-Benzisoxazole,3-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 2,1-Benzisoxazole,3-(1-methylethyl)-
- 3-Isopropyl-2,1-benzisoxazole
- 2,1-Benzisoxazole,3-(1-methylethyl)-(9CI)
- Isopropylanthranil
- 3-propan-2-yl-2,1-benzoxazole
- SCHEMBL11914647
- 106718-49-4
- 3-isopropylbenzo[c]isoxazole
-
- Inchi： 1S/C10H11NO/c1-7(2)10-8-5-3-4-6-9(8)11-12-10/h3-7H,1-2H3
- InChI Key： UNFQKOHGNLHAQW-UHFFFAOYSA-N
- SMILES： O1C(=C2C=CC=CC2=N1)C(C)C
Computed Properties
- Exact Mass: 161.08413
- Monoisotopic Mass: 161.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 158
- 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: 2.9
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
2,1-Benzisoxazole,3-(1-methylethyl)- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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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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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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