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87946-88-1 | Pyrimidine, 5-(4-butyl-3-chlorophenyl)-2-(4-pentylphenyl)-
CAS No: 87946-88-1 Catalog No: AG004EFF MDL No:
Product Description
Catalog Number:
AG004EFF
Chemical Name:
Pyrimidine, 5-(4-butyl-3-chlorophenyl)-2-(4-pentylphenyl)-
CAS Number:
87946-88-1
Molecular Formula:
C25H29ClN2
Molecular Weight:
392.9642
IUPAC Name:
5-(4-butyl-3-chlorophenyl)-2-(4-pentylphenyl)pyrimidine
InChI:
InChI=1S/C25H29ClN2/c1-3-5-7-8-19-10-12-21(13-11-19)25-27-17-23(18-28-25)22-15-14-20(9-6-4-2)24(26)16-22/h10-18H,3-9H2,1-2H3
InChI Key:
KMWRIYHREUYUCP-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)c1ncc(cn1)c1ccc(c(c1)Cl)CCCC
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.202g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.971g/mol
Monoisotopic Mass:
392.202g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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