Cas no 688021-29-6 (Ethanone, 1-(3-bromo-4-chloro-5-methylphenyl)-)
688021-29-6 structure
Product Name:Ethanone, 1-(3-bromo-4-chloro-5-methylphenyl)-
CAS No:688021-29-6
MF:C9H8BrClO
MW:247.516221046448
CID:4145744
PubChem ID:68590206
Update Time:2025-04-24
Ethanone, 1-(3-bromo-4-chloro-5-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(3-bromo-4-chloro-5-methylphenyl)-
- 688021-29-6
- SCHEMBL3307814
- DB-102580
- DTXSID601249580
-
- Inchi： 1S/C9H8BrClO/c1-5-3-7(6(2)12)4-8(10)9(5)11/h3-4H,1-2H3
- InChI Key： ZBOPNZWFUARKHR-UHFFFAOYSA-N
- SMILES： C(=O)(C1=CC(C)=C(Cl)C(Br)=C1)C
Computed Properties
- Exact Mass: 245.94471Da
- Monoisotopic Mass: 245.94471Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 183
- 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: 3.3
- Topological Polar Surface Area: 17.1?2
Ethanone, 1-(3-bromo-4-chloro-5-methylphenyl)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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