Cas no 87989-75-1 (Phosphonic acid, (butoxymethyl)-, 3-chloropropyl ethyl ester)
87989-75-1 structure
Product Name:Phosphonic acid, (butoxymethyl)-, 3-chloropropyl ethyl ester
CAS No:87989-75-1
MF:C10H22ClO4P
MW:272.706043720245
CID:649448
PubChem ID:13143347
Update Time:2025-04-19
Phosphonic acid, (butoxymethyl)-, 3-chloropropyl ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (butoxymethyl)-, 3-chloropropyl ethyl ester
- 1-[[3-chloropropoxy(ethoxy)phosphoryl]methoxy]butane
- 3-Chloropropyl ethyl (butoxymethyl)phosphonate
- DTXSID40521441
- 87989-75-1
-
- Inchi： 1S/C10H22ClO4P/c1-3-5-8-13-10-16(12,14-4-2)15-9-6-7-11/h3-10H2,1-2H3
- InChI Key： WQNQTVUSJDRYMN-UHFFFAOYSA-N
- SMILES： ClCCCOP(COCCCC)(=O)OCC
Computed Properties
- Exact Mass: 272.0944239g/mol
- Monoisotopic Mass: 272.0944239g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 201
- 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: 2
- Topological Polar Surface Area: 44.8?2
Phosphonic acid, (butoxymethyl)-, 3-chloropropyl ethyl ester Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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