Cas no 189437-53-4 (1,2-Benzisoxazol-7-amine,6-fluoro-3-methyl-)
189437-53-4 structure
Product Name:1,2-Benzisoxazol-7-amine,6-fluoro-3-methyl-
CAS No:189437-53-4
MF:C8H7FN2O
MW:166.152384996414
CID:115643
PubChem ID:85726947
Update Time:2025-04-18
1,2-Benzisoxazol-7-amine,6-fluoro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisoxazol-7-amine,6-fluoro-3-methyl-
- 1,2-Benzisoxazol-7-amine,6-fluoro-3-methyl-(9CI)
- 189437-53-4
- 6-Fluoro-3-methylbenzo[d]isoxazol-7-amine
-
- Inchi： 1S/C8H7FN2O/c1-4-5-2-3-6(9)7(10)8(5)12-11-4/h2-3H,10H2,1H3
- InChI Key： DBXZNLMESUABPW-UHFFFAOYSA-N
- SMILES： FC1C=CC2C(C)=NOC=2C=1N
Computed Properties
- Exact Mass: 166.054
- Monoisotopic Mass: 166.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 178
- 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: 52A^2
- XLogP3: 1.5
1,2-Benzisoxazol-7-amine,6-fluoro-3-methyl- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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