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Home > Fluorides > 951231-23-5
951231-23-5 | 4-(Trifluoromethyl)-6-(4-trifluoromethylphenyl)-1,2-dihydro-2-oxopyridine-3-carbonitrile
CAS No: 951231-23-5 Catalog No: AG01EZLA MDL No:MFCD18785724
Product Description
Catalog Number:
AG01EZLA
Chemical Name:
4-(Trifluoromethyl)-6-(4-trifluoromethylphenyl)-1,2-dihydro-2-oxopyridine-3-carbonitrile
CAS Number:
951231-23-5
Molecular Formula:
C14H6F6N2O
Molecular Weight:
332.2007
MDL Number:
MFCD18785724
IUPAC Name:
2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C14H6F6N2O/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/h1-5H,(H,22,23)
InChI Key:
ABDMCGMIKUFXKS-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c(cc1C(F)(F)F)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.038g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.205g/mol
Monoisotopic Mass:
332.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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