Cas no 54839-16-6 (1-Butanone, 1-[1,1'-biphenyl]-4-yl-4-chloro-)
![1-Butanone, 1-[1,1'-biphenyl]-4-yl-4-chloro- structure](https://ossimg.kuujia.com/scimg/55000/54839-16-6x500.png)
54839-16-6 structure
Product Name:1-Butanone, 1-[1,1'-biphenyl]-4-yl-4-chloro-
CAS No:54839-16-6
MF:C16H15ClO
MW:258.742703676224
CID:353559
PubChem ID:12287558
Update Time:2025-04-19
1-Butanone, 1-[1,1'-biphenyl]-4-yl-4-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 1-[1,1'-biphenyl]-4-yl-4-chloro-
- 4-chloro-1-(4-phenylphenyl)butan-1-one
- 1-([1,1'-biphenyl]-4-yl)-4-chlorobutan-1-one
- PSSULKGCXHRUCX-UHFFFAOYSA-N
- 3-chloropropyl 4-phenylphenyl ketone
- SCHEMBL10563005
- AKOS015150488
- DTXSID70484616
- 54839-16-6
-
- Inchi： 1S/C16H15ClO/c17-12-4-7-16(18)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2
- InChI Key： PSSULKGCXHRUCX-UHFFFAOYSA-N
- SMILES： ClCCCC(C1C=CC(=CC=1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 258.08125
- Monoisotopic Mass: 258.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 250
- 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: 4.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Butanone, 1-[1,1'-biphenyl]-4-yl-4-chloro- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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