Cas no 53009-36-2 (5-Isoxazolol, 5-(4-chlorophenyl)-4,5-dihydro-)
53009-36-2 structure
Product Name:5-Isoxazolol, 5-(4-chlorophenyl)-4,5-dihydro-
CAS No:53009-36-2
MF:C9H8ClNO2
MW:197.618321418762
CID:358227
PubChem ID:71365405
Update Time:2025-04-19
5-Isoxazolol, 5-(4-chlorophenyl)-4,5-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolol, 5-(4-chlorophenyl)-4,5-dihydro-
- 5-(4-chlorophenyl)-4H-1,2-oxazol-5-ol
- 5-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-ol
- 53009-36-2
- 5-(4-Chlorophenyl)-4,5-dihydroisoxazol-5-ol
- DTXSID70788823
-
- Inchi： 1S/C9H8ClNO2/c10-8-3-1-7(2-4-8)9(12)5-6-11-13-9/h1-4,6,12H,5H2
- InChI Key： VOUKOJCTZSDIMF-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1(CC=NO1)O
Computed Properties
- Exact Mass: 197.02444
- Monoisotopic Mass: 197.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 214
- 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
- XLogP3: 1.2
- Topological Polar Surface Area: 41.8?2
Experimental Properties
- PSA: 41.82
5-Isoxazolol, 5-(4-chlorophenyl)-4,5-dihydro- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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