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921758-93-2

921758-93-2 | 1-Octadecanone, 1-(3,5-dichloro-2,6-dihydroxyphenyl)-

CAS No: 921758-93-2 Catalog No: AG006GPK MDL No:

Product Description

Catalog Number:
AG006GPK
Chemical Name:
1-Octadecanone, 1-(3,5-dichloro-2,6-dihydroxyphenyl)-
CAS Number:
921758-93-2
Molecular Formula:
C24H38Cl2O3
Molecular Weight:
445.4627
IUPAC Name:
1-(3,5-dichloro-2,6-dihydroxyphenyl)octadecan-1-one
InChI:
InChI=1S/C24H38Cl2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)22-23(28)19(25)18-20(26)24(22)29/h18,28-29H,2-17H2,1H3
InChI Key:
UEBGIEUHNCUFJR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)c1c(O)c(Cl)cc(c1O)Cl

Properties

Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.22g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
445.465g/mol
Monoisotopic Mass:
444.22g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1  

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