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Home > Fluorides > 1271477-23-6
1271477-23-6 | 4-(Trifluoromethyl)-6-(3-fluorophenyl)-1,2-dihydro-2-oxopyridine-3-carbonitrile
CAS No: 1271477-23-6 Catalog No: AG01F3XR MDL No:MFCD18785722
Product Description
Catalog Number:
AG01F3XR
Chemical Name:
4-(Trifluoromethyl)-6-(3-fluorophenyl)-1,2-dihydro-2-oxopyridine-3-carbonitrile
CAS Number:
1271477-23-6
Molecular Formula:
C13H6F4N2O
Molecular Weight:
282.1932
MDL Number:
MFCD18785722
IUPAC Name:
6-(3-fluorophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H6F4N2O/c14-8-3-1-2-7(4-8)11-5-10(13(15,16)17)9(6-18)12(20)19-11/h1-5H,(H,19,20)
InChI Key:
WHTWDOKBTCZCLM-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c(cc1C(F)(F)F)c1cccc(c1)F
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.042g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.198g/mol
Monoisotopic Mass:
282.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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