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114084-91-2 | 3-Pyridinecarbonitrile, 2-chloro-6-phenyl-4-(trifluoromethyl)-
CAS No: 114084-91-2 Catalog No: AG000AHW MDL No:MFCD00474275
Product Description
Catalog Number:
AG000AHW
Chemical Name:
3-Pyridinecarbonitrile, 2-chloro-6-phenyl-4-(trifluoromethyl)-
CAS Number:
114084-91-2
Molecular Formula:
C13H6ClF3N2
Molecular Weight:
282.6483
MDL Number:
MFCD00474275
IUPAC Name:
2-chloro-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H6ClF3N2/c14-12-9(7-18)10(13(15,16)17)6-11(19-12)8-4-2-1-3-5-8/h1-6H
InChI Key:
SZLCNVQGOCMSPP-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc(cc1C(F)(F)F)c1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.017g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.65g/mol
Monoisotopic Mass:
282.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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