Cas no 27329-40-4 (Methyl 3,5-dibromo-2,6-dinitrobenzoate)
27329-40-4 structure
Product Name:Methyl 3,5-dibromo-2,6-dinitrobenzoate
CAS No:27329-40-4
MF:C8H4Br2N2O6
MW:383.935160636902
CID:2116574
Update Time:2023-08-04
Methyl 3,5-dibromo-2,6-dinitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 3,5-dibromo-2,6-dinitrobenzoate
- ST50979868
- Methyl 3,5-dibromo-2,6-dinitrobenzoate
-
- Inchi： 1S/C8H4Br2N2O6/c1-18-8(13)5-6(11(14)15)3(9)2-4(10)7(5)12(16)17/h2H,1H3
- InChI Key： SRYHNXZEQITOBY-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=C(C(=O)OC)C=1[N+](=O)[O-])[N+](=O)[O-])Br
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 342
- Topological Polar Surface Area: 118
Methyl 3,5-dibromo-2,6-dinitrobenzoate Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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