Cas no 1076-82-0 (Cyclohexanone, 2-bromo-4-(1,1-dimethylethyl)-)
1076-82-0 structure
Product Name:Cyclohexanone, 2-bromo-4-(1,1-dimethylethyl)-
CAS No:1076-82-0
MF:C10H17BrO
MW:233.145382642746
CID:1184374
PubChem ID:11586691
Update Time:2025-04-20
Cyclohexanone, 2-bromo-4-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-bromo-4-(1,1-dimethylethyl)-
- 2-bromo-4-tert-butylcyclohexan-1-one
- 1076-82-0
- SCHEMBL4664526
- AKOS011020205
- DTXSID50469007
-
- Inchi： 1S/C10H17BrO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h7-8H,4-6H2,1-3H3
- InChI Key： UJAXXUXPLJRDOH-UHFFFAOYSA-N
- SMILES： BrC1C(CCC(C1)C(C)(C)C)=O
Computed Properties
- Exact Mass: 232.04631
- Monoisotopic Mass: 232.04628g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cyclohexanone, 2-bromo-4-(1,1-dimethylethyl)- Related Literature
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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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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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