Cas no 80034-28-2 (Anthracene, 9,10-bis[(4-chlorophenyl)ethynyl]-)
![Anthracene, 9,10-bis[(4-chlorophenyl)ethynyl]- structure](https://ossimg.kuujia.com/scimg/80500/80034-28-2x500.png)
80034-28-2 structure
Product Name:Anthracene, 9,10-bis[(4-chlorophenyl)ethynyl]-
CAS No:80034-28-2
MF:C30H16Cl2
MW:447.35404586792
CID:706454
PubChem ID:15741807
Update Time:2025-04-19
Anthracene, 9,10-bis[(4-chlorophenyl)ethynyl]- Chemical and Physical Properties
Names and Identifiers
-
- Anthracene, 9,10-bis[(4-chlorophenyl)ethynyl]-
- 9,10-bis[2-(4-chlorophenyl)ethynyl]anthracene
- 80034-28-2
- SCHEMBL391401
- DTXSID30577795
- 9,10-Bis[(4-chlorophenyl)ethynyl]anthracene
-
- Inchi： 1S/C30H16Cl2/c31-23-15-9-21(10-16-23)13-19-29-25-5-1-2-6-26(25)30(28-8-4-3-7-27(28)29)20-14-22-11-17-24(32)18-12-22/h1-12,15-18H
- InChI Key： QIHHHIVJXPQIBB-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C#CC1=C2C=CC=CC2=C(C#CC2C=CC(=CC=2)Cl)C2=CC=CC=C21
Computed Properties
- Exact Mass: 446.0629059g/mol
- Monoisotopic Mass: 446.0629059g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 32
- Rotatable Bond Count: 4
- Complexity: 668
- 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: 9.7
- Topological Polar Surface Area: 0?2
Anthracene, 9,10-bis[(4-chlorophenyl)ethynyl]- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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