Cas no 139775-67-0 (Coronene, chloro-)
Coronene, chloro- structure
Product Name:Coronene, chloro-
CAS No:139775-67-0
MF:C24H11Cl
MW:334.79714512825
CID:1281064
PubChem ID:11609696
Update Time:2025-04-20
Coronene, chloro- Chemical and Physical Properties
Names and Identifiers
-
- Coronene, chloro-
- 1-chlorocoronene
- 139775-67-0
- SCHEMBL13991410
-
- Inchi： 1S/C24H11Cl/c25-18-11-16-8-7-14-4-2-12-1-3-13-5-6-15-9-10-17(18)24-22(15)20(13)19(12)21(14)23(16)24/h1-11H
- InChI Key： RBUXHBPGIOTLGQ-UHFFFAOYSA-N
- SMILES： ClC1C=C2C=CC3=CC=C4C=CC5=CC=C6C=CC=1C1C6=C5C4=C3C=12
Computed Properties
- Exact Mass: 334.05503
- Monoisotopic Mass: 334.0549280g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 570
- 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: 8.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Coronene, chloro- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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