Cas no 98042-29-6 (Ethanone, 2,2-dibromo-1-(3-bromophenyl)-)
98042-29-6 structure
Product Name:Ethanone, 2,2-dibromo-1-(3-bromophenyl)-
CAS No:98042-29-6
MF:C8H5Br3O
MW:356.836700201035
CID:1990010
PubChem ID:11314300
Update Time:2025-04-21
Ethanone, 2,2-dibromo-1-(3-bromophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 2,2-dibromo-1-(3-bromophenyl)-
- 2,2-DIBROMO-1-(3-BROMOPHENYL)ETHANONE
- SY298877
- 2,2,3 inverted exclamation mark -Tribromoacetophenone
- MFCD09056809
- 98042-29-6
-
- Inchi： 1S/C8H5Br3O/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,8H
- InChI Key： SZAMIQORYWUBNR-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(C(C(Br)Br)=O)=C1
Computed Properties
- Exact Mass: 355.78700Da
- Monoisotopic Mass: 353.78905Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 170
- 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
Ethanone, 2,2-dibromo-1-(3-bromophenyl)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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