Cas no 5273-25-6 ( )
structure
Product Name:
CAS No:5273-25-6
MF:C16H10F2N2
MW:268.260810375214
CID:937360
PubChem ID:6414924
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 6-fluoro-4-[(E)-2-(3-fluorophenyl)ethenyl]cinnoline
- AC1O4TJ3
- NSC409714
- NSC-409714
- DTXSID00423477
- 5273-25-6
-
-
- Inchi： 1S/C16H10F2N2/c17-13-3-1-2-11(8-13)4-5-12-10-19-20-16-7-6-14(18)9-15(12)16/h1-10H/b5-4+
- InChI Key： QIRNNIFPQBEHIQ-SNAWJCMRSA-N
- SMILES： FC1C=CC2=C(C=1)C(=CN=N2)/C=C/C1C=CC=C(C=1)F
Computed Properties
- Exact Mass: 268.0813
- Monoisotopic Mass: 268.081205
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 347
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 25.8
- XLogP3: 3.7
Experimental Properties
- Density: 1.33
- Boiling Point: 418.6°C at 760 mmHg
- Flash Point: 207°C
- Refractive Index: 1.696
- PSA: 25.78
- LogP: 4.07840
Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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