Cas no 87427-59-6 (Ethanone, 2-bromo-1-(3-chloro-4-methylphenyl)-)
87427-59-6 structure
Product Name:Ethanone, 2-bromo-1-(3-chloro-4-methylphenyl)-
CAS No:87427-59-6
MF:C9H8BrClO
MW:247.516221046448
CID:656444
PubChem ID:12844796
Update Time:2025-04-19
Ethanone, 2-bromo-1-(3-chloro-4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 2-bromo-1-(3-chloro-4-methylphenyl)-
- 2-bromo-1-(3-chloro-4-methylphenyl)ethanone
- 2-Bromo-1-(3-chloro-4-methylphenyl)ethan-1-one
- DTXSID30511316
- SCHEMBL23112482
- AKOS018708952
- 87427-59-6
-
- Inchi： 1S/C9H8BrClO/c1-6-2-3-7(4-8(6)11)9(12)5-10/h2-4H,5H2,1H3
- InChI Key： HLDCKLUHLITEHK-UHFFFAOYSA-N
- SMILES： BrCC(C1C=CC(C)=C(C=1)Cl)=O
Computed Properties
- Exact Mass: 245.94471g/mol
- Monoisotopic Mass: 245.94471g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 4.1
- Topological Polar Surface Area: 17.1?2
Ethanone, 2-bromo-1-(3-chloro-4-methylphenyl)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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