Cas no 2460493-13-2 (methyl-d3 5-bromothiazole-2-carboxylate-4-d)
2460493-13-2 structure
Product Name:methyl-d3 5-bromothiazole-2-carboxylate-4-d
CAS No:2460493-13-2
MF:C5H4BrNO2S
MW:226.084405899048
CID:6825322
PubChem ID:172406386
Update Time:2025-02-28
methyl-d3 5-bromothiazole-2-carboxylate-4-d Chemical and Physical Properties
Names and Identifiers
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- methyl-d3 5-bromothiazole-2-carboxylate-4-d
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- Inchi： 1S/C5H4BrNO2S/c1-9-5(8)4-7-2-3(6)10-4/h2H,1H3/i1D3,2D
- InChI Key： IPIPEKCGDPLTCO-MZCSYVLQSA-N
- SMILES： BrC1=C([2H])N=C(C(=O)OC([2H])([2H])[2H])S1
Computed Properties
- Exact Mass: 224.93972Da
- Monoisotopic Mass: 224.93972Da
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 144
- 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: 2.2
- Topological Polar Surface Area: 67.4?2
methyl-d3 5-bromothiazole-2-carboxylate-4-d Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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