Cas no 55345-01-2 (Nsc169630)
Nsc169630 structure
Product Name:Nsc169630
CAS No:55345-01-2
MF:C18H15BrIPS
MW:501.158935785294
CID:943790
PubChem ID:298012
Update Time:2025-04-19
Nsc169630 Chemical and Physical Properties
Names and Identifiers
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- Nsc169630
- DTXSID70305190
- 55345-01-2
- NSC-169630
-
- Inchi： 1S/C18H15PS.BrI/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2/h1-15H;
- InChI Key： HPCOVMYLTNHWNL-UHFFFAOYSA-N
- SMILES： IBr.S=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 499.886
- Monoisotopic Mass: 499.886
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 283
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.1?2
Experimental Properties
- Boiling Point: 428.7°Cat760mmHg
- Flash Point: 213.1°C
- PSA: 41.90000
- LogP: 5.82430
Nsc169630 Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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