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Home > Fluorides > 1300713-04-5
1300713-04-5 | 4-(Trifluoromethyl)-6-(4-trifluoromethylphenyl)-1,2-dihydro-2-thioxopyridine-3-carbonitrile
CAS No: 1300713-04-5 Catalog No: AG01F31A MDL No:MFCD18785720
Product Description
Catalog Number:
AG01F31A
Chemical Name:
4-(Trifluoromethyl)-6-(4-trifluoromethylphenyl)-1,2-dihydro-2-thioxopyridine-3-carbonitrile
CAS Number:
1300713-04-5
Molecular Formula:
C14H6F6N2S
Molecular Weight:
348.2663
MDL Number:
MFCD18785720
IUPAC Name:
2-sulfanylidene-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3H-pyridine-3-carbonitrile
InChI:
InChI=1S/C14H6F6N2S/c15-13(16,17)8-3-1-7(2-4-8)11-5-10(14(18,19)20)9(6-21)12(23)22-11/h1-5,9H
InChI Key:
ZSSKWTRWSDKHHW-UHFFFAOYSA-N
SMILES:
N#CC1C(=S)N=C(C=C1C(F)(F)F)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.016g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.266g/mol
Monoisotopic Mass:
348.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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