Cas no 1315364-33-0 (2-(2-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid)
1315364-33-0 structure
Product Name:2-(2-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid
CAS No:1315364-33-0
MF:C11H6BrClN2O2
MW:313.534540653229
CID:2128905
Update Time:2023-08-04
2-(2-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(2-bromophenyl)-6-chloro- 4-Pyrimidinecarboxylic acid
- 2-(2-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid
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- Inchi： 1S/C11H6BrClN2O2/c12-7-4-2-1-3-6(7)10-14-8(11(16)17)5-9(13)15-10/h1-5H,(H,16,17)
- InChI Key： HTOXRVBRQAPODA-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1C1N=C(C=C(C(=O)O)N=1)Cl
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 293
- Topological Polar Surface Area: 63.1
2-(2-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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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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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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