Cas no 63129-99-7 (2-Bromo-N,N-diethyl-4,6-dinitroaniline)
63129-99-7 structure
Product Name:2-Bromo-N,N-diethyl-4,6-dinitroaniline
CAS No:63129-99-7
MF:C10H12BrN3O4
MW:318.12398147583
CID:2789772
PubChem ID:71373308
Update Time:2025-04-21
2-Bromo-N,N-diethyl-4,6-dinitroaniline Chemical and Physical Properties
Names and Identifiers
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- DTXSID20796135
- 63129-99-7
- 2-Bromo-N,N-diethyl-4,6-dinitroaniline
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- Inchi： 1S/C10H12BrN3O4/c1-3-12(4-2)10-8(11)5-7(13(15)16)6-9(10)14(17)18/h5-6H,3-4H2,1-2H3
- InChI Key： MPRDYCPNBQIABO-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC(=C1N(CC)CC)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 317.00112Da
- Monoisotopic Mass: 317.00112Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 313
- 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: 3.1
- Topological Polar Surface Area: 94.9?2
2-Bromo-N,N-diethyl-4,6-dinitroaniline Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
63129-99-7 (2-Bromo-N,N-diethyl-4,6-dinitroaniline) Related Products
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