Cas no 33098-80-5 (acetanilide, 2',6'-dibromo-)
acetanilide, 2',6'-dibromo- structure
Product Name:acetanilide, 2',6'-dibromo-
CAS No:33098-80-5
MF:C8H7Br2NO
MW:292.955280542374
CID:917599
PubChem ID:36335
Update Time:2025-04-19
acetanilide, 2',6'-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- acetanilide, 2',6'-dibromo-
- N-(2,6-dibromophenyl)acetamide
- acetamide, N-(2,6-dibromophenyl)-
- SCHEMBL21807836
- BRN 1818691
- 0-12-00-00659 (Beilstein Handbook Reference)
- 33098-80-5
- 2,6-Dibromoacetanilide
- DTXSID90186761
- DB-172571
-
- Inchi： 1S/C8H7Br2NO/c1-5(12)11-8-6(9)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)
- InChI Key： PNLHXEUNINMJFM-UHFFFAOYSA-N
- SMILES： BrC1C=CC=C(C=1NC(C)=O)Br
Computed Properties
- Exact Mass: 290.88941
- Monoisotopic Mass: 290.88944g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 164
- 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: 1.5
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
acetanilide, 2',6'-dibromo- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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
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