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114085-00-6 | 3-Pyridinecarbonitrile, 2-amino-6-phenyl-4-(trifluoromethyl)-
CAS No: 114085-00-6 Catalog No: AG000AHU MDL No:
Product Description
Catalog Number:
AG000AHU
Chemical Name:
3-Pyridinecarbonitrile, 2-amino-6-phenyl-4-(trifluoromethyl)-
CAS Number:
114085-00-6
Molecular Formula:
C13H8F3N3
Molecular Weight:
263.2179
IUPAC Name:
2-amino-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H8F3N3/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)19-12(18)9(10)7-17/h1-6H,(H2,18,19)
InChI Key:
DJVUVOFHXAZICJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)nc(cc1C(F)(F)F)c1ccccc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.223g/mol
Monoisotopic Mass:
263.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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