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Home > Fluorides > 114460-31-0
114460-31-0 | Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-[4-(trifluoromethyl)phenyl]-
CAS No: 114460-31-0 Catalog No: AG000EG8 MDL No:
Product Description
Catalog Number:
AG000EG8
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-[4-(trifluoromethyl)phenyl]-
CAS Number:
114460-31-0
Molecular Formula:
C13H14F3N
Molecular Weight:
241.2522
IUPAC Name:
1-methyl-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C13H14F3N/c1-17-8-6-11(7-9-17)10-2-4-12(5-3-10)13(14,15)16/h2-6H,7-9H2,1H3
InChI Key:
GVHKTYQSYDVVHC-UHFFFAOYSA-N
SMILES:
CN1CCC(=CC1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.108g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.257g/mol
Monoisotopic Mass:
241.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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