Cas no 1383132-82-8 (3-(2-Amino-5-bromo-6-hydroxypyrimidin-4-yl)benzoic acid)
1383132-82-8 structure
Product Name:3-(2-Amino-5-bromo-6-hydroxypyrimidin-4-yl)benzoic acid
CAS No:1383132-82-8
MF:C11H8BrN3O3
MW:310.103521347046
CID:2192402
Update Time:2023-08-06
3-(2-Amino-5-bromo-6-hydroxypyrimidin-4-yl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(2-Amino-5-bromo-6-hydroxy-pyrimidin-4-yl)-benzoic acid
- 3-(2-amino-5-bromo-6-hydroxypyrimidin-4-yl)benzoic acid
- 3-(2-Amino-5-bromo-6-hydroxypyrimidin-4-yl)benzoic acid
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- Inchi： 1S/C11H8BrN3O3/c12-7-8(14-11(13)15-9(7)16)5-2-1-3-6(4-5)10(17)18/h1-4H,(H,17,18)(H3,13,14,15,16)
- InChI Key： UFOHQZFLINXEHR-UHFFFAOYSA-N
- SMILES： BrC1C(NC(N)=NC=1C1C=CC=C(C(=O)O)C=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 458
- Topological Polar Surface Area: 105
Experimental Properties
- Density: 1.89
3-(2-Amino-5-bromo-6-hydroxypyrimidin-4-yl)benzoic acid Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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