Cas no 59142-70-0 (Methanone, (2-bromo-4-fluorophenyl)(4-fluorophenyl)-)
59142-70-0 structure
Product Name:Methanone, (2-bromo-4-fluorophenyl)(4-fluorophenyl)-
CAS No:59142-70-0
MF:C13H7BrF2O
MW:297.094889879227
CID:4053364
PubChem ID:11130251
Update Time:2025-04-22
Methanone, (2-bromo-4-fluorophenyl)(4-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (2-bromo-4-fluorophenyl)(4-fluorophenyl)-
- 59142-70-0
- (2-Bromo-4-fluorophenyl)(4-fluorophenyl)methanone
- SCHEMBL11860220
-
- Inchi： 1S/C13H7BrF2O/c14-12-7-10(16)5-6-11(12)13(17)8-1-3-9(15)4-2-8/h1-7H
- InChI Key： PVOOOEKGGXYVAL-UHFFFAOYSA-N
- SMILES： C(C1=CC=C(F)C=C1Br)(C1=CC=C(F)C=C1)=O
Computed Properties
- Exact Mass: 295.96483Da
- Monoisotopic Mass: 295.96483Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 277
- 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
- Topological Polar Surface Area: 17.1?2
Methanone, (2-bromo-4-fluorophenyl)(4-fluorophenyl)- Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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