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Home > Fluorides > 1267968-10-4
1267968-10-4 | 3-Pyridinecarbonitrile, 1-(4-fluorophenyl)-1,2-dihydro-4-methyl-2-oxo-
CAS No: 1267968-10-4 Catalog No: AG000T84 MDL No:MFCD18651705
Product Description
Catalog Number:
AG000T84
Chemical Name:
3-Pyridinecarbonitrile, 1-(4-fluorophenyl)-1,2-dihydro-4-methyl-2-oxo-
CAS Number:
1267968-10-4
Molecular Formula:
C13H9FN2O
Molecular Weight:
228.2218
MDL Number:
MFCD18651705
IUPAC Name:
1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C13H9FN2O/c1-9-6-7-16(13(17)12(9)8-15)11-4-2-10(14)3-5-11/h2-7H,1H3
InChI Key:
PPXHSOAKGPXVNS-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)ccn(c1=O)c1ccc(cc1)F
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.226g/mol
Monoisotopic Mass:
228.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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