Cas no 160888-77-7 (Benzene, 1-(1-bromoethyl)-4,5-dimethoxy-2-nitro-)
160888-77-7 structure
Product Name:Benzene, 1-(1-bromoethyl)-4,5-dimethoxy-2-nitro-
CAS No:160888-77-7
MF:C10H12BrNO4
MW:290.110582351685
CID:1340765
PubChem ID:15438996
Update Time:2025-04-20
Benzene, 1-(1-bromoethyl)-4,5-dimethoxy-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(1-bromoethyl)-4,5-dimethoxy-2-nitro-
- a-methyl-2-nitro-4,5-dimethoxybenzyl bromide
- 1-(1-bromoethyl)-4,5-dimethoxy-2-nitrobenzene
- QNRKIJIYNLQARX-UHFFFAOYSA-N
- 160888-77-7
- SCHEMBL7266614
-
- Inchi： 1S/C10H12BrNO4/c1-6(11)7-4-9(15-2)10(16-3)5-8(7)12(13)14/h4-6H,1-3H3
- InChI Key： QNRKIJIYNLQARX-UHFFFAOYSA-N
- SMILES： BrC(C)C1C=C(C(=CC=1[N+](=O)[O-])OC)OC
Computed Properties
- Exact Mass: 288.99496
- Monoisotopic Mass: 288.99497g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 246
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- PSA: 61.6
Benzene, 1-(1-bromoethyl)-4,5-dimethoxy-2-nitro- Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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