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625370-80-1 | 4-(Trifluoromethyl)-6-(4-fluorophenyl)-1,2-dihydro-2-thioxopyridine-3-carbonitrile
CAS No: 625370-80-1 Catalog No: AG01EWOV MDL No:MFCD03305669
Product Description
Catalog Number:
AG01EWOV
Chemical Name:
4-(Trifluoromethyl)-6-(4-fluorophenyl)-1,2-dihydro-2-thioxopyridine-3-carbonitrile
CAS Number:
625370-80-1
Molecular Formula:
C13H6F4N2S
Molecular Weight:
298.2588
MDL Number:
MFCD03305669
IUPAC Name:
6-(4-fluorophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H6F4N2S/c14-8-3-1-7(2-4-8)11-5-10(13(15,16)17)9(6-18)12(20)19-11/h1-5H,(H,19,20)
InChI Key:
XFFLGWYTFMNVHP-UHFFFAOYSA-N
SMILES:
N#CC1C(=S)N=C(C=C1C(F)(F)F)c1ccc(cc1)F
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.019g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.259g/mol
Monoisotopic Mass:
298.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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