Cas no 53219-90-2 (Propanoic acid,3-bromo-, 1,5-pentanediyl ester (9CI))
53219-90-2 structure
Product Name:Propanoic acid,3-bromo-, 1,5-pentanediyl ester (9CI)
CAS No:53219-90-2
MF:C11H18Br2O4
MW:374.066222667694
CID:368540
PubChem ID:104445
Update Time:2025-04-19
Propanoic acid,3-bromo-, 1,5-pentanediyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-bromo-, 1,5-pentanediyl ester (9CI)
- 5-(3-bromopropanoyloxy)pentyl 3-bromopropanoate
- pentane-1,5-diyl bis(3-bromopropionate)
- pentane-1,5-diyl bis(3-bromopropanoate)
- DTXSID10201304
- 53219-90-2
- NS00032682
- EINECS 258-433-8
-
- Inchi： 1S/C11H18Br2O4/c12-6-4-10(14)16-8-2-1-3-9-17-11(15)5-7-13/h1-9H2
- InChI Key： XFUTVHAXMLALRL-UHFFFAOYSA-N
- SMILES： BrCCC(=O)OCCCCCOC(CCBr)=O
Computed Properties
- Exact Mass: 371.95714
- Monoisotopic Mass: 371.95718g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 200
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanoic acid,3-bromo-, 1,5-pentanediyl ester (9CI) Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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