Cas no 167155-65-9 (5-Isoxazolecarbonyl chloride, 3-(methoxymethyl)-)
167155-65-9 structure
Product Name:5-Isoxazolecarbonyl chloride, 3-(methoxymethyl)-
CAS No:167155-65-9
MF:C6H6ClNO3
MW:175.569740772247
CID:1347386
PubChem ID:19958763
Update Time:2025-04-20
5-Isoxazolecarbonyl chloride, 3-(methoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarbonyl chloride, 3-(methoxymethyl)-
- 3-(Methoxymethyl)-5-isoxazolecarbonyl chloride
- 167155-65-9
- SCHEMBL8909993
- DB-394049
-
- Inchi： 1S/C6H6ClNO3/c1-10-3-4-2-5(6(7)9)11-8-4/h2H,3H2,1H3
- InChI Key： YJGLAUDCAGQHOH-UHFFFAOYSA-N
- SMILES： ClC(C1=CC(COC)=NO1)=O
Computed Properties
- Exact Mass: 175.00368
- Monoisotopic Mass: 175.0036207g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 153
- 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: 0.9
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.33
5-Isoxazolecarbonyl chloride, 3-(methoxymethyl)- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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