Cas no 87989-76-2 (Phosphonic acid, (propoxymethyl)-, 3-chloropropyl propyl ester)
87989-76-2 structure
Product Name:Phosphonic acid, (propoxymethyl)-, 3-chloropropyl propyl ester
CAS No:87989-76-2
MF:C10H22ClO4P
MW:272.706043720245
CID:649447
PubChem ID:13143348
Update Time:2025-04-19
Phosphonic acid, (propoxymethyl)-, 3-chloropropyl propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (propoxymethyl)-, 3-chloropropyl propyl ester
- 1-chloro-3-[propoxy(propoxymethyl)phosphoryl]oxypropane
- 3-Chloropropyl propyl (propoxymethyl)phosphonate
- 87989-76-2
- DTXSID00521442
-
- Inchi： 1S/C10H22ClO4P/c1-3-7-13-10-16(12,14-8-4-2)15-9-5-6-11/h3-10H2,1-2H3
- InChI Key： QCOMQNAEPZHLGZ-UHFFFAOYSA-N
- SMILES： ClCCCOP(COCCC)(=O)OCCC
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: 2.2
- Topological Polar Surface Area: 44.8?2
Phosphonic acid, (propoxymethyl)-, 3-chloropropyl propyl ester Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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