Cas no 2363780-30-5 (methyl-d3 5-bromothiophene-2-carboxylate)
2363780-30-5 structure
Product Name:methyl-d3 5-bromothiophene-2-carboxylate
CAS No:2363780-30-5
MF:C6H5BrO2S
MW:224.090184926987
CID:6824794
PubChem ID:172406182
Update Time:2025-03-01
methyl-d3 5-bromothiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl-d3 5-bromothiophene-2-carboxylate
- CS-22880
- 2363780-30-5
-
- Inchi： 1S/C6H5BrO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3/i1D3
- InChI Key： QLWUHAQCKDHUNL-FIBGUPNXSA-N
- SMILES： BrC1=CC=C(C(=O)OC([2H])([2H])[2H])S1
Computed Properties
- Exact Mass: 222.93819Da
- Monoisotopic Mass: 222.93819Da
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 140
- 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: 2.8
- Topological Polar Surface Area: 54.5?2
methyl-d3 5-bromothiophene-2-carboxylate Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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