Cas no 200065-00-5 (2-Hexanone, 1-(4-bromophenyl)-)
200065-00-5 structure
Product Name:2-Hexanone, 1-(4-bromophenyl)-
CAS No:200065-00-5
MF:C12H15BrO
MW:255.150902986526
CID:1389629
PubChem ID:12139919
Update Time:2023-08-30
2-Hexanone, 1-(4-bromophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexanone, 1-(4-bromophenyl)-
- 200065-00-5
- 1-(4-BROMOPHENYL)HEXAN-2-ONE
- N14162
-
- Inchi： 1S/C12H15BrO/c1-2-3-4-12(14)9-10-5-7-11(13)8-6-10/h5-8H,2-4,9H2,1H3
- InChI Key： SBFVHIKEVCTSHD-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)CC(CCCC)=O
Computed Properties
- Exact Mass: 254.03065
- Monoisotopic Mass: 254.03063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- 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: 3.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Hexanone, 1-(4-bromophenyl)- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
200065-00-5 (2-Hexanone, 1-(4-bromophenyl)-) Related Products
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