Cas no 79324-79-1 (Ethanone, 1-(3,5-dibromo-4-methoxyphenyl)-)
79324-79-1 structure
Product Name:Ethanone, 1-(3,5-dibromo-4-methoxyphenyl)-
CAS No:79324-79-1
MF:C9H8Br2O2
MW:307.966621398926
CID:1799913
PubChem ID:820190
Update Time:2025-04-21
Ethanone, 1-(3,5-dibromo-4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(3,5-dibromo-4-methoxyphenyl)-
- 1-(3,5-dibromo-4-methoxyphenyl)ethanone
- 79324-79-1
- DTXSID00356170
- AO-089/41019499
-
- Inchi： 1S/C9H8Br2O2/c1-5(12)6-3-7(10)9(13-2)8(11)4-6/h3-4H,1-2H3
- InChI Key： YZLSJKQCNFBAOB-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(C)=O)C=C(C=1OC)Br
Computed Properties
- Exact Mass: 307.88706g/mol
- Monoisotopic Mass: 305.88910g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 184
- 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
- Topological Polar Surface Area: 26.3?2
Ethanone, 1-(3,5-dibromo-4-methoxyphenyl)- Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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