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138955-21-2 | Pyrimidine, 2-(4'-butyl[1,1'-biphenyl]-4-yl)-5-hexyl-
CAS No: 138955-21-2 Catalog No: AG0019WF MDL No:
Product Description
Catalog Number:
AG0019WF
Chemical Name:
Pyrimidine, 2-(4'-butyl[1,1'-biphenyl]-4-yl)-5-hexyl-
CAS Number:
138955-21-2
Molecular Formula:
C26H32N2
Molecular Weight:
372.5457
IUPAC Name:
2-[4-(4-butylphenyl)phenyl]-5-hexylpyrimidine
InChI:
InChI=1S/C26H32N2/c1-3-5-7-8-10-22-19-27-26(28-20-22)25-17-15-24(16-18-25)23-13-11-21(12-14-23)9-6-4-2/h11-20H,3-10H2,1-2H3
InChI Key:
RZWSXTLGYPZXMR-UHFFFAOYSA-N
SMILES:
CCCCCCc1cnc(nc1)c1ccc(cc1)c1ccc(cc1)CCCC
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.257g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.556g/mol
Monoisotopic Mass:
372.257g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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