Cas no 88958-31-0 (3-Isoxazolecarbonyl chloride, 5-(3-methoxyphenyl)-)
88958-31-0 structure
Product Name:3-Isoxazolecarbonyl chloride, 5-(3-methoxyphenyl)-
CAS No:88958-31-0
MF:C11H8ClNO3
MW:237.639122009277
CID:618261
PubChem ID:43840569
Update Time:2025-04-19
3-Isoxazolecarbonyl chloride, 5-(3-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarbonyl chloride, 5-(3-methoxyphenyl)-
- 5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
- SCHEMBL11100104
- DTXSID40656545
- 5-(3-Methoxyphenyl)isoxazole-3-carbonyl chloride
- AKOS002683765
- 88958-31-0
-
- Inchi： 1S/C11H8ClNO3/c1-15-8-4-2-3-7(5-8)10-6-9(11(12)14)13-16-10/h2-6H,1H3
- InChI Key： ZJAQJQKYFHIIKR-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C2C=CC=C(C=2)OC)ON=1)=O
Computed Properties
- Exact Mass: 237.019
- Monoisotopic Mass: 237.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 262
- 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: 52.3A^2
- XLogP3: 2.8
3-Isoxazolecarbonyl chloride, 5-(3-methoxyphenyl)- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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