Cas no 371932-99-9 (Isoxazole,3-(2-chloroethyl)-4,5-dimethyl-)
371932-99-9 structure
Product Name:Isoxazole,3-(2-chloroethyl)-4,5-dimethyl-
CAS No:371932-99-9
MF:C7H10ClNO
MW:159.613400936127
CID:297801
PubChem ID:45099184
Update Time:2025-04-19
Isoxazole,3-(2-chloroethyl)-4,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,3-(2-chloroethyl)-4,5-dimethyl-
- Isoxazole, 3-(2-chloroethyl)-4,5-dimethyl- (9CI)
- Isoxazole,3-(2-chloroethyl)-4,5-dimethyl-(9ci)
- 371932-99-9
- 3-(2-Chloroethyl)-4,5-dimethylisoxazole
-
- Inchi： 1S/C7H10ClNO/c1-5-6(2)10-9-7(5)3-4-8/h3-4H2,1-2H3
- InChI Key： LDCWUNWOIVGGAU-UHFFFAOYSA-N
- SMILES： ClCCC1C(C)=C(C)ON=1
Computed Properties
- Exact Mass: 159.0452
- Monoisotopic Mass: 159.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 110
- 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: 26A^2
- XLogP3: 2
Experimental Properties
- PSA: 26.03
Isoxazole,3-(2-chloroethyl)-4,5-dimethyl- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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