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86503-56-2 | Pyrimidine, 5-(4-butylphenyl)-2-(4-pentylphenyl)-
CAS No: 86503-56-2 Catalog No: AG004M0T MDL No:
Product Description
Catalog Number:
AG004M0T
Chemical Name:
Pyrimidine, 5-(4-butylphenyl)-2-(4-pentylphenyl)-
CAS Number:
86503-56-2
Molecular Formula:
C25H30N2
Molecular Weight:
358.5191
IUPAC Name:
5-(4-butylphenyl)-2-(2-pentylphenyl)pyrimidine
InChI:
InChI=1S/C25H30N2/c1-3-5-7-11-22-12-8-9-13-24(22)25-26-18-23(19-27-25)21-16-14-20(15-17-21)10-6-4-2/h8-9,12-19H,3-7,10-11H2,1-2H3
InChI Key:
HOHSWHCCJOELOE-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)c1ncc(cn1)c1ccc(cc1)CCCC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.241g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.529g/mol
Monoisotopic Mass:
358.241g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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