Cas no 36081-67-1 (Ethanedione, (2-bromophenyl)phenyl-)
36081-67-1 structure
Product Name:Ethanedione, (2-bromophenyl)phenyl-
CAS No:36081-67-1
MF:C14H9BrO2
MW:289.124063253403
CID:1474341
PubChem ID:15697902
Update Time:2025-04-20
Ethanedione, (2-bromophenyl)phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Ethanedione, (2-bromophenyl)phenyl-
- 1-(2-bromophenyl)-2-phenyl-1,2-Ethanedione
- 1-(2-bromophenyl)-2-phenylethane-1,2-dione
- 36081-67-1
- DTXSID101268246
- SCHEMBL738088
- DA-31449
-
- Inchi： 1S/C14H9BrO2/c15-12-9-5-4-8-11(12)14(17)13(16)10-6-2-1-3-7-10/h1-9H
- InChI Key： NOSQWCPYBRVJGP-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1C(C(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 287.97857
- Monoisotopic Mass: 287.97859g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 295
- 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: 34.1?2
Experimental Properties
- PSA: 34.14
Ethanedione, (2-bromophenyl)phenyl- Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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