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146540-16-1 | Acetamide, 2,2'-[(4,5-dibromo-1,2-phenylene)bis(oxy)]bis[N,N-dioctyl-
CAS No: 146540-16-1 Catalog No: AG001E42 MDL No:
Product Description
Catalog Number:
AG001E42
Chemical Name:
Acetamide, 2,2'-[(4,5-dibromo-1,2-phenylene)bis(oxy)]bis[N,N-dioctyl-
CAS Number:
146540-16-1
Molecular Formula:
C42H74Br2N2O4
Molecular Weight:
830.8560
IUPAC Name:
2-[4,5-dibromo-2-[2-(dioctylamino)-2-oxoethoxy]phenoxy]-N,N-dioctylacetamide
InChI:
InChI=1S/C42H74Br2N2O4/c1-5-9-13-17-21-25-29-45(30-26-22-18-14-10-6-2)41(47)35-49-39-33-37(43)38(44)34-40(39)50-36-42(48)46(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h33-34H,5-32,35-36H2,1-4H3
InChI Key:
VDHGYUCBDRWHRG-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(C(=O)COc1cc(Br)c(cc1OCC(=O)N(CCCCCCCC)CCCCCCCC)Br)CCCCCCCC
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
830.399g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
830.872g/mol
Monoisotopic Mass:
828.402g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16
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