Cas no 87989-74-0 (Phosphonic acid, (propoxymethyl)-, 3-chloropropyl ethyl ester)
87989-74-0 structure
Product Name:Phosphonic acid, (propoxymethyl)-, 3-chloropropyl ethyl ester
CAS No:87989-74-0
MF:C9H20ClO4P
MW:258.679463386536
CID:649449
PubChem ID:13143346
Update Time:2025-04-19
Phosphonic acid, (propoxymethyl)-, 3-chloropropyl ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (propoxymethyl)-, 3-chloropropyl ethyl ester
- 1-chloro-3-[ethoxy(propoxymethyl)phosphoryl]oxypropane
- 87989-74-0
- 3-Chloropropyl ethyl (propoxymethyl)phosphonate
- DTXSID80521440
-
- Inchi： 1S/C9H20ClO4P/c1-3-7-12-9-15(11,13-4-2)14-8-5-6-10/h3-9H2,1-2H3
- InChI Key： DNZSOKCFJHPTMR-UHFFFAOYSA-N
- SMILES： ClCCCOP(COCCC)(=O)OCC
Computed Properties
- Exact Mass: 258.0787738g/mol
- Monoisotopic Mass: 258.0787738g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 10
- Complexity: 189
- 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: 1.6
- Topological Polar Surface Area: 44.8?2
Phosphonic acid, (propoxymethyl)-, 3-chloropropyl ethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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