Cas no 71495-00-6 (Isoxazole,5-(1-chloroethyl)-3-ethyl-)
71495-00-6 structure
Product Name:Isoxazole,5-(1-chloroethyl)-3-ethyl-
CAS No:71495-00-6
MF:C7H10ClNO
MW:159.613400936127
CID:548295
PubChem ID:45099187
Update Time:2025-04-19
Isoxazole,5-(1-chloroethyl)-3-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,5-(1-chloroethyl)-3-ethyl-
- Isoxazole, 5-(1-chloroethyl)-3-ethyl- (9CI)
- 5-(1-chloroethyl)-3-ethyl-1,2-oxazole
- 71495-00-6
- Isoxazole,5-(1-chloroethyl)-3-ethyl-(9ci)
- 5-(1-Chloroethyl)-3-ethylisoxazole
- DTXSID70667801
-
- Inchi： 1S/C7H10ClNO/c1-3-6-4-7(5(2)8)10-9-6/h4-5H,3H2,1-2H3
- InChI Key： HYBITPOIYITAHY-UHFFFAOYSA-N
- SMILES： ClC(C)C1=CC(CC)=NO1
Computed Properties
- Exact Mass: 159.0452
- Monoisotopic Mass: 159.0450916g/mol
- 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 : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole,5-(1-chloroethyl)-3-ethyl- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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