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Home > Fluorides > 869643-10-7
869643-10-7 | Benzonitrile, 4-(2-ethyl-1-piperidinyl)-2-(trifluoromethyl)-
CAS No: 869643-10-7 Catalog No: AG004L3Z MDL No:
Product Description
Catalog Number:
AG004L3Z
Chemical Name:
Benzonitrile, 4-(2-ethyl-1-piperidinyl)-2-(trifluoromethyl)-
CAS Number:
869643-10-7
Molecular Formula:
C15H17F3N2
Molecular Weight:
282.3041
IUPAC Name:
4-(2-ethylpiperidin-1-yl)-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C15H17F3N2/c1-2-12-5-3-4-8-20(12)13-7-6-11(10-19)14(9-13)15(16,17)18/h6-7,9,12H,2-5,8H2,1H3
InChI Key:
FROZJVLDDDEYSX-UHFFFAOYSA-N
SMILES:
CCC1CCCCN1c1ccc(c(c1)C(F)(F)F)C#N
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.134g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.31g/mol
Monoisotopic Mass:
282.134g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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