Cas no 150079-72-4 (4-Chloro-2,1-benzisoxazole)
4-Chloro-2,1-benzisoxazole structure
Product Name:4-Chloro-2,1-benzisoxazole
CAS No:150079-72-4
MF:C7H4ClNO
MW:153.565760612488
CID:99983
PubChem ID:11105565
Update Time:2024-02-29
4-Chloro-2,1-benzisoxazole Chemical and Physical Properties
Names and Identifiers
-
- 2,1-Benzisoxazole,4-chloro-
- 2,1-Benzisoxazole,4-chloro-(9CI)
- 4-Chloro-2,1-benzisoxazole
-
- Inchi： 1S/C7H4ClNO/c8-6-2-1-3-7-5(6)4-10-9-7/h1-4H
- InChI Key： YUIUJCYOORYWJG-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2C1=CON=2
Computed Properties
- Exact Mass: 152.9981414g/mol
- Monoisotopic Mass: 152.9981414g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 131
- 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: 26
- XLogP3: 2.3
4-Chloro-2,1-benzisoxazole Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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