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139113-99-8 | Undecanamide, N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-heptyl-
CAS No: 139113-99-8 Catalog No: AG001AB7 MDL No:
Product Description
Catalog Number:
AG001AB7
Chemical Name:
Undecanamide, N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-heptyl-
CAS Number:
139113-99-8
Molecular Formula:
C26H43Cl2NO2
Molecular Weight:
472.5311
IUPAC Name:
N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-heptylundecanamide
InChI:
InChI=1S/C26H43Cl2NO2/c1-4-7-9-11-12-14-16-18-20(17-15-13-10-8-5-2)26(31)29-23-19-22(27)21(6-3)24(28)25(23)30/h19-20,30H,4-18H2,1-3H3,(H,29,31)
InChI Key:
PSOUWOKVCCXFGR-UHFFFAOYSA-N
SMILES:
CCCCCCCC(C(=O)Nc1cc(Cl)c(c(c1O)Cl)CC)CCCCCCCCC
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.267g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
472.535g/mol
Monoisotopic Mass:
471.267g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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