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113978-96-4 | Pyrimidine, 2-(4-ethylphenyl)-5-pentyl-
CAS No: 113978-96-4 Catalog No: AG000A8W MDL No:
Product Description
Catalog Number:
AG000A8W
Chemical Name:
Pyrimidine, 2-(4-ethylphenyl)-5-pentyl-
CAS Number:
113978-96-4
Molecular Formula:
C17H22N2
Molecular Weight:
254.3700
IUPAC Name:
2-(4-ethylphenyl)-5-pentylpyrimidine
InChI:
InChI=1S/C17H22N2/c1-3-5-6-7-15-12-18-17(19-13-15)16-10-8-14(4-2)9-11-16/h8-13H,3-7H2,1-2H3
InChI Key:
GXKSFVWOGCWDQT-UHFFFAOYSA-N
SMILES:
CCCCCc1cnc(nc1)c1ccc(cc1)CC
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.377g/mol
Monoisotopic Mass:
254.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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