Cas no 872279-35-1 (Ethyl 3-bromo-2-nitrobenzoate)
Ethyl 3-bromo-2-nitrobenzoate structure
Product Name:Ethyl 3-bromo-2-nitrobenzoate
CAS No:872279-35-1
MF:C9H8BrNO4
MW:274.068121910095
CID:1867875
PubChem ID:46311278
Update Time:2025-04-21
Ethyl 3-bromo-2-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 3-bromo-2-nitrobenzoate
- AC1Q5AEN
- AC1L5ZL4
- SureCN103199
- 3-Bromo-2-nitroanisole
- ACMC-209kjs
- SBB055382
- 2-Nitro-3-brom-anisol
- 3-Brom-2-nitro-benzoesaeure-aethylester
- 3-bromo-2-nitro-benzoic acid ethyl ester
- NSC88011
- 3-bromo-2-nitro-anisole
- 3-Brom-2-nitro-anisol
- NCIOpen2_005349
- 872279-35-1
- SCHEMBL17707775
- DB-339186
-
- Inchi： 1S/C9H8BrNO4/c1-2-15-9(12)6-4-3-5-7(10)8(6)11(13)14/h3-5H,2H2,1H3
- InChI Key： HPTMOAFFIHTRDM-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(C(=O)OCC)=C1[N+](=O)[O-]
Computed Properties
- Exact Mass: 272.96367Da
- Monoisotopic Mass: 272.96367Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 253
- 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: 2.7
- Topological Polar Surface Area: 72.1?2
Ethyl 3-bromo-2-nitrobenzoate Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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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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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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