Cas no 88958-29-6 (3-Isoxazolecarbonyl chloride, 5-(4-methylphenyl)-)
88958-29-6 structure
Product Name:3-Isoxazolecarbonyl chloride, 5-(4-methylphenyl)-
CAS No:88958-29-6
MF:C11H8ClNO2
MW:221.639721870422
CID:618263
PubChem ID:71320959
Update Time:2025-04-19
3-Isoxazolecarbonyl chloride, 5-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarbonyl chloride, 5-(4-methylphenyl)-
- 5-(4-methylphenyl)-1,2-oxazole-3-carbonyl chloride
- 5-(p-tolyl)isoxazole-3-carbonyl chloride
- DTXSID50750821
- 88958-29-6
-
- Inchi： 1S/C11H8ClNO2/c1-7-2-4-8(5-3-7)10-6-9(11(12)14)13-15-10/h2-6H,1H3
- InChI Key： RUHVRHLQRIOIEQ-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C2C=CC(C)=CC=2)ON=1)=O
Computed Properties
- Exact Mass: 221.0243562g/mol
- Monoisotopic Mass: 221.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 239
- 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
- XLogP3: 3.2
- Topological Polar Surface Area: 43.1?2
3-Isoxazolecarbonyl chloride, 5-(4-methylphenyl)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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