Cas no 861524-98-3 (p-Acetotoluide, 6-bromo-3-(chloroacetyl)-2-nitro- (1CI))
861524-98-3 structure
Product Name:p-Acetotoluide, 6-bromo-3-(chloroacetyl)-2-nitro- (1CI)
CAS No:861524-98-3
MF:C11H10BrClN2O4
MW:349.565101146698
CID:718313
Update Time:2023-11-18
p-Acetotoluide, 6-bromo-3-(chloroacetyl)-2-nitro- (1CI) Chemical and Physical Properties
Names and Identifiers
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- Acetamide,N-[6-bromo-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]-
- p-Acetotoluide, 6-bromo-3-(chloroacetyl)-2-nitro- (1CI)
- CID 131862024
- p-Acetotoluide, 6-bromo-3-(chloroacetyl)-2-nitro- (1CI)
- Acetamide, N-[6-bromo-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]-
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- Inchi： 1S/C11H10BrClN2O4/c1-5-3-7(12)10(14-6(2)16)11(15(18)19)9(5)8(17)4-13/h3H,4H2,1-2H3,(H,14,16)
- InChI Key： IRAFLJBOXLWISE-UHFFFAOYSA-N
- SMILES： BrC1=CC(C)=C(C(CCl)=O)C(=C1NC(C)=O)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 387
- Topological Polar Surface Area: 92
Experimental Properties
- Density: 1.666±0.06 g/cm3(Predicted)
- Boiling Point: 532.2±50.0 °C(Predicted)
- pka: 12.41±0.70(Predicted)
p-Acetotoluide, 6-bromo-3-(chloroacetyl)-2-nitro- (1CI) Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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