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90184-29-5

90184-29-5 | Benzene, 1-iodo-3-[[6-(methylthio)hexyl]oxy]-

CAS No: 90184-29-5 Catalog No: AG006GIP MDL No:

Product Description

Catalog Number:
AG006GIP
Chemical Name:
Benzene, 1-iodo-3-[[6-(methylthio)hexyl]oxy]-
CAS Number:
90184-29-5
Molecular Formula:
C13H19IOS
Molecular Weight:
350.2588
IUPAC Name:
1-iodo-3-(6-methylsulfanylhexoxy)benzene
InChI:
InChI=1S/C13H19IOS/c1-16-10-5-3-2-4-9-15-13-8-6-7-12(14)11-13/h6-8,11H,2-5,9-10H2,1H3
InChI Key:
YNCNWHATISNWRW-UHFFFAOYSA-N
SMILES:
CSCCCCCCOc1cccc(c1)I

Properties

Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.02g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.258g/mol
Monoisotopic Mass:
350.02g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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