Cas no 656834-87-6 (Acetamide, N-(2-bromo-4-chloro-6-methylphenyl)-)
656834-87-6 structure
Product Name:Acetamide, N-(2-bromo-4-chloro-6-methylphenyl)-
CAS No:656834-87-6
MF:C9H9BrClNO
MW:262.53086066246
CID:1692782
PubChem ID:85931879
Update Time:2025-04-21
Acetamide, N-(2-bromo-4-chloro-6-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, N-(2-bromo-4-chloro-6-methylphenyl)-
- 656834-87-6
- N-(2-bromo-4-chloro-6-methylphenyl)acetamide
- DTXSID201256616
-
- Inchi： 1S/C9H9BrClNO/c1-5-3-7(11)4-8(10)9(5)12-6(2)13/h3-4H,1-2H3,(H,12,13)
- InChI Key： UQNIILJENDYPJW-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC(C)=C1NC(C)=O)Cl
Computed Properties
- Exact Mass: 260.95567
- Monoisotopic Mass: 260.95560g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 200
- 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: 2.8
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
Acetamide, N-(2-bromo-4-chloro-6-methylphenyl)- 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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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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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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