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114088-47-0 | 1,3-Dioxolane, 4-(chloromethyl)-2-[2-(hexylthio)ethyl]-2-methyl-
CAS No: 114088-47-0 Catalog No: AG000AIQ MDL No:
Product Description
Catalog Number:
AG000AIQ
Chemical Name:
1,3-Dioxolane, 4-(chloromethyl)-2-[2-(hexylthio)ethyl]-2-methyl-
CAS Number:
114088-47-0
Molecular Formula:
C13H25ClO2S
Molecular Weight:
280.8544
IUPAC Name:
4-(chloromethyl)-2-(2-hexylsulfanylethyl)-2-methyl-1,3-dioxolane
InChI:
InChI=1S/C13H25ClO2S/c1-3-4-5-6-8-17-9-7-13(2)15-11-12(10-14)16-13/h12H,3-11H2,1-2H3
InChI Key:
UXEUMVLGJJBCCN-UHFFFAOYSA-N
SMILES:
CCCCCCSCCC1(C)OCC(O1)CCl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.851g/mol
Monoisotopic Mass:
280.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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