Cas no 3565-66-0 (Butane, 3-chloro-1-methoxy-)
Butane, 3-chloro-1-methoxy- structure
Product Name:Butane, 3-chloro-1-methoxy-
CAS No:3565-66-0
MF:C5H11ClO
MW:122.593240976334
CID:1472793
PubChem ID:12426339
Update Time:2025-04-20
Butane, 3-chloro-1-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Butane, 3-chloro-1-methoxy-
- 3-chloro-1-methoxybutane
- DTXSID00497739
- 3565-66-0
- AKOS011145783
- SCHEMBL9118312
- methyl 3-chlorobutyl ether
-
- Inchi： 1S/C5H11ClO/c1-5(6)3-4-7-2/h5H,3-4H2,1-2H3
- InChI Key： XUDUGRDTYFBMTQ-UHFFFAOYSA-N
- SMILES： ClC(C)CCOC
Computed Properties
- Exact Mass: 122.04993
- Monoisotopic Mass: 122.0498427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 39.1
- 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: 1.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Butane, 3-chloro-1-methoxy- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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