Cas no 117662-58-5 (Propanoic-2,3,3-d3acid, 2,3-dibromo- (9CI))
117662-58-5 structure
Product Name:Propanoic-2,3,3-d3acid, 2,3-dibromo- (9CI)
CAS No:117662-58-5
MF:C3H4Br2O2
MW:234.889144897461
CID:132818
PubChem ID:102602308
Update Time:2025-04-19
Propanoic-2,3,3-d3acid, 2,3-dibromo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic-2,3,3-d3acid, 2,3-dibromo- (9CI)
- 2,3-DIBROMOPROPIONIC-2,3,3-D3 ACID
- 117662-58-5
- 2,3-Dibromo-2,3,3-trideuteriopropanoic acid
-
- Inchi： 1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)/i1D2,2D
- InChI Key： ZMYAKSMZTVWUJB-FUDHJZNOSA-N
- SMILES： BrC([2H])(C(=O)O)C([2H])([2H])Br
Computed Properties
- Exact Mass: 234.875
- Monoisotopic Mass: 232.877
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 73.3
- 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
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 1.4
Propanoic-2,3,3-d3acid, 2,3-dibromo- (9CI) Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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