Cas no 646521-54-2 (Ethanone, 1-(9-bromophenanthrenyl)-)
646521-54-2 structure
Product Name:Ethanone, 1-(9-bromophenanthrenyl)-
CAS No:646521-54-2
MF:C16H11BrO
MW:299.161943674088
CID:419685
PubChem ID:71379225
Update Time:2025-04-19
Ethanone, 1-(9-bromophenanthrenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(9-bromophenanthrenyl)-
- 1-(9-bromophenanthren-1-yl)ethanone
- 1-(9-BROMOPHENANTHREN-1-YL)ETHAN-1-ONE
- 646521-54-2
- DTXSID30801805
-
- Inchi： 1S/C16H11BrO/c1-10(18)11-7-4-8-13-12-5-2-3-6-14(12)16(17)9-15(11)13/h2-9H,1H3
- InChI Key： JEIAZKGDRJYFIW-UHFFFAOYSA-N
- SMILES： BrC1=CC2=C(C(C)=O)C=CC=C2C2C=CC=CC=21
Computed Properties
- Exact Mass: 297.99933
- Monoisotopic Mass: 297.99933g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 327
- 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: 4.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Ethanone, 1-(9-bromophenanthrenyl)- Related Literature
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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