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175859-31-1 | Pyrimidine, 2-(4'-ethyl[1,1'-biphenyl]-4-yl)-5-propyl-
CAS No: 175859-31-1 Catalog No: AG00218N MDL No:
Product Description
Catalog Number:
AG00218N
Chemical Name:
Pyrimidine, 2-(4'-ethyl[1,1'-biphenyl]-4-yl)-5-propyl-
CAS Number:
175859-31-1
Molecular Formula:
C21H22N2
Molecular Weight:
302.4128
IUPAC Name:
2-[4-(4-ethylphenyl)phenyl]-5-propylpyrimidine
InChI:
InChI=1S/C21H22N2/c1-3-5-17-14-22-21(23-15-17)20-12-10-19(11-13-20)18-8-6-16(4-2)7-9-18/h6-15H,3-5H2,1-2H3
InChI Key:
POTFMRRDESDWOU-UHFFFAOYSA-N
SMILES:
CCCc1cnc(nc1)c1ccc(cc1)c1ccc(cc1)CC
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.421g/mol
Monoisotopic Mass:
302.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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