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68214-69-7 | 2,3,5,6-tetrachloro-4-cyanophenyl 3,4-dichlorobenzoate
CAS No: 68214-69-7 Catalog No: AG005LPA MDL No:
Product Description
Catalog Number:
AG005LPA
Chemical Name:
2,3,5,6-tetrachloro-4-cyanophenyl 3,4-dichlorobenzoate
CAS Number:
68214-69-7
Molecular Formula:
C14H3Cl6NO2
Molecular Weight:
429.8971
IUPAC Name:
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4-ditert-butylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
InChI:
InChI=1S/C34H62O11/c1-33(2,3)30-7-8-32(31(29-30)34(4,5)6)45-28-27-44-26-25-43-24-23-42-22-21-41-20-19-40-18-17-39-16-15-38-14-13-37-12-11-36-10-9-35/h7-8,29,35H,9-28H2,1-6H3
InChI Key:
TZOZGEFFYPNSAA-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)OC(=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
646.429g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
646.859g/mol
Monoisotopic Mass:
646.429g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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