Cas no 31742-65-1 (Propanoic acid,dibromo-, methyl ester (9CI))
31742-65-1 structure
Product Name:Propanoic acid,dibromo-, methyl ester (9CI)
CAS No:31742-65-1
MF:C4H6Br2O2
MW:245.897240161896
CID:315051
PubChem ID:15655239
Update Time:2025-04-19
Propanoic acid,dibromo-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,dibromo-, methyl ester (9CI)
- methyl dibromopropionate
- methyl 2,2-dibromopropanoate
- Propanoic acid, dibromo-, methyl ester
- Propionic acid, dibromo-, methyl ester
- 31742-65-1
- 2,2-Dibromopropionic acid methyl ester
- EINECS 250-786-6
- NS00051539
- AMY36996
-
- Inchi： 1S/C4H6Br2O2/c1-4(5,6)3(7)8-2/h1-2H3
- InChI Key： OGRACAVRFYYZQA-UHFFFAOYSA-N
- SMILES： BrC(C(=O)OC)(C)Br
Computed Properties
- Exact Mass: 243.87300
- Monoisotopic Mass: 243.87345g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 100
- 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
- XLogP3: 2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 1.66540
Propanoic acid,dibromo-, methyl ester (9CI) Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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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
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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