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101664-25-9 | Hexanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-
CAS No: 101664-25-9 Catalog No: AG000548 MDL No:
Product Description
Catalog Number:
AG000548
Chemical Name:
Hexanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-
CAS Number:
101664-25-9
Molecular Formula:
C30H43Cl2NO3
Molecular Weight:
536.5733
IUPAC Name:
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexanamide
InChI:
InChI=1S/C30H43Cl2NO3/c1-9-13-14-25(28(35)33-23-18-22(31)20(10-2)26(32)27(23)34)36-24-16-15-19(29(5,6)11-3)17-21(24)30(7,8)12-4/h15-18,25,34H,9-14H2,1-8H3,(H,33,35)
InChI Key:
GODFGXHVYABBMA-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)Nc1cc(Cl)c(c(c1O)Cl)CC)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
535.262g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
536.578g/mol
Monoisotopic Mass:
535.262g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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