Cas no 1378431-65-2 (Methyl 2-bromo-5-(bromomethyl)-3-chlorobenzoate)
1378431-65-2 structure
Product Name:Methyl 2-bromo-5-(bromomethyl)-3-chlorobenzoate
CAS No:1378431-65-2
MF:C9H7Br2ClO2
MW:342.411680459976
CID:2190424
Update Time:2023-08-07
Methyl 2-bromo-5-(bromomethyl)-3-chlorobenzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2-bromo-5-(bromomethyl)-3-chlorobenzoate
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- Inchi： 1S/C9H7Br2ClO2/c1-14-9(13)6-2-5(4-10)3-7(12)8(6)11/h2-3H,4H2,1H3
- InChI Key： ZUBXCZNWTYHFRG-UHFFFAOYSA-N
- SMILES： BrC1C(=CC(CBr)=CC=1C(=O)OC)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 213
- Topological Polar Surface Area: 26.3
Methyl 2-bromo-5-(bromomethyl)-3-chlorobenzoate Related Literature
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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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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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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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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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