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88725-29-5 | Hexanamide,2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-
CAS No: 88725-29-5 Catalog No: AG0045MU MDL No:
Product Description
Catalog Number:
AG0045MU
Chemical Name:
Hexanamide,2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-
CAS Number:
88725-29-5
Molecular Formula:
C29H41Cl2NO3
Molecular Weight:
522.5467
IUPAC Name:
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)hexanamide
InChI:
InChI=1S/C29H41Cl2NO3/c1-9-12-13-24(27(34)32-22-17-21(30)18(4)25(31)26(22)33)35-23-15-14-19(28(5,6)10-2)16-20(23)29(7,8)11-3/h14-17,24,33H,9-13H2,1-8H3,(H,32,34)
InChI Key:
VXHIWXYHLJWULK-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)Nc1cc(Cl)c(c(c1O)Cl)C)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C
EC Number:
289-442-5
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.246g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
522.551g/mol
Monoisotopic Mass:
521.246g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3
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