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143922-09-2 | Thiazole, 5-[4-(heptyloxy)phenyl]-2-(4-undecylphenyl)-
CAS No: 143922-09-2 Catalog No: AG001IMH MDL No:
Product Description
Catalog Number:
AG001IMH
Chemical Name:
Thiazole, 5-[4-(heptyloxy)phenyl]-2-(4-undecylphenyl)-
CAS Number:
143922-09-2
Molecular Formula:
C33H47NOS
Molecular Weight:
505.7974
IUPAC Name:
5-(4-heptoxyphenyl)-2-(4-undecylphenyl)-1,3-thiazole
InChI:
InChI=1S/C33H47NOS/c1-3-5-7-9-10-11-12-13-15-17-28-18-20-30(21-19-28)33-34-27-32(36-33)29-22-24-31(25-23-29)35-26-16-14-8-6-4-2/h18-25,27H,3-17,26H2,1-2H3
InChI Key:
ZNEHOGMVNPRRLB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1ccc(cc1)c1ncc(s1)c1ccc(cc1)OCCCCCCC
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.338g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
505.805g/mol
Monoisotopic Mass:
505.338g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.8
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