Cas no 59718-31-9 ( )
structure
Product Name:
CAS No:59718-31-9
MF:C13H7F3N2
MW:248.203293085098
CID:950566
PubChem ID:323283
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 5-(trifluoromethyl)-1,7-phenanthroline
- 5-Trifluormethyl-1,7-phenanthrolin
- 5-trifluoromethyl-[1,7]phenanthroline
- AC1L88AF
- NSC282193
- NSC-282193
- DTXSID90314380
- 59718-31-9
- IBUSWDRPPXDJFZ-UHFFFAOYSA-N
-
-
- Inchi： 1S/C13H7F3N2/c14-13(15,16)10-7-11-9(4-2-5-17-11)12-8(10)3-1-6-18-12/h1-7H
- InChI Key： IBUSWDRPPXDJFZ-UHFFFAOYSA-N
- SMILES： FC(C1=CC2=C(C=CC=N2)C2C1=CC=CN=2)(F)F
Computed Properties
- Exact Mass: 248.05621
- Monoisotopic Mass: 248.05613272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 305
- 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: 3.3
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
- LogP: 3.80180
Related Literature
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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