Cas no 89876-52-8 (Propanoic acid, 2,3-dichloro-, decyl ester)
89876-52-8 structure
Product Name:Propanoic acid, 2,3-dichloro-, decyl ester
CAS No:89876-52-8
MF:C13H24Cl2O2
MW:283.234462738037
CID:586252
PubChem ID:23046805
Update Time:2025-04-19
Propanoic acid, 2,3-dichloro-, decyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,3-dichloro-, decyl ester
- decyl 2,3-dichloropropanoate
- DTXSID80630021
- 89876-52-8
- SCHEMBL10399596
-
- Inchi： 1S/C13H24Cl2O2/c1-2-3-4-5-6-7-8-9-10-17-13(16)12(15)11-14/h12H,2-11H2,1H3
- InChI Key： ZKJHDNBEVSXFDK-UHFFFAOYSA-N
- SMILES： ClC(CCl)C(=O)OCCCCCCCCCC
Computed Properties
- Exact Mass: 282.1153354g/mol
- Monoisotopic Mass: 282.1153354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 186
- 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: 5.9
- Topological Polar Surface Area: 26.3?2
Propanoic acid, 2,3-dichloro-, decyl ester Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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