Cas no 1785129-22-7 (6-Bromo-3-methoxy-pyrazine-2-carboxylic acid)
1785129-22-7 structure
Product Name:6-Bromo-3-methoxy-pyrazine-2-carboxylic acid
CAS No:1785129-22-7
MF:C6H5BrN2O3
MW:233.019500494003
CID:6838607
PubChem ID:84726759
Update Time:2025-03-24
6-Bromo-3-methoxy-pyrazine-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 6-bromo-3-methoxypyrazine-2-carboxylic acid
- 1785129-22-7
- 6-Bromo-3-methoxy-pyrazine-2-carboxylic acid
-
- Inchi： 1S/C6H5BrN2O3/c1-12-5-4(6(10)11)9-3(7)2-8-5/h2H,1H3,(H,10,11)
- InChI Key： ZRMVZXITRZURBC-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(C(C(=O)O)=N1)OC
Computed Properties
- Exact Mass: 231.94835Da
- Monoisotopic Mass: 231.94835Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 178
- 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: 1
- Topological Polar Surface Area: 72.3?2
6-Bromo-3-methoxy-pyrazine-2-carboxylic acid Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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