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Home > Fluorides > 121845-53-2
121845-53-2 | Pyrido[3,4-e]-1,2,4-triazine, 3-(2-fluorophenyl)-
CAS No: 121845-53-2 Catalog No: AG00163R MDL No:
Product Description
Catalog Number:
AG00163R
Chemical Name:
Pyrido[3,4-e]-1,2,4-triazine, 3-(2-fluorophenyl)-
CAS Number:
121845-53-2
Molecular Formula:
C12H7FN4
Molecular Weight:
226.2092
IUPAC Name:
3-(2-fluorophenyl)pyrido[3,4-e][1,2,4]triazine
InChI:
InChI=1S/C12H7FN4/c13-9-4-2-1-3-8(9)12-15-11-7-14-6-5-10(11)16-17-12/h1-7H
InChI Key:
KPPLCAVGONJTQZ-UHFFFAOYSA-N
SMILES:
Fc1ccccc1c1nnc2c(n1)cncc2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.214g/mol
Monoisotopic Mass:
226.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Pyrido[3,4-e]-1,2,4-triazines and related heterocycles as potential antifungal agents. | Journal of medicinal chemistry 19891101 |
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