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29134-21-2 | Pyrimidine, 2,5-bis(4-hexylphenyl)-
CAS No: 29134-21-2 Catalog No: AG002XG4 MDL No:
Product Description
Catalog Number:
AG002XG4
Chemical Name:
Pyrimidine, 2,5-bis(4-hexylphenyl)-
CAS Number:
29134-21-2
Molecular Formula:
C28H36N2
Molecular Weight:
400.5988
IUPAC Name:
2,5-bis(4-hexylphenyl)pyrimidine
InChI:
InChI=1S/C28H36N2/c1-3-5-7-9-11-23-13-17-25(18-14-23)27-21-29-28(30-22-27)26-19-15-24(16-20-26)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3
InChI Key:
HVVADUXEUOAEES-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)c1ncc(cn1)c1ccc(cc1)CCCCCC
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.288g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.61g/mol
Monoisotopic Mass:
400.288g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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