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1443349-95-8 | 3-Chloro-4-iso-pentoxyphenyl methyl sulfide
CAS No: 1443349-95-8 Catalog No: AG01FB1L MDL No:
Product Description
Catalog Number:
AG01FB1L
Chemical Name:
3-Chloro-4-iso-pentoxyphenyl methyl sulfide
CAS Number:
1443349-95-8
Molecular Formula:
C12H17ClOS
Molecular Weight:
244.7808
IUPAC Name:
2-chloro-1-(3-methylbutoxy)-4-methylsulfanylbenzene
InChI:
InChI=1S/C12H17ClOS/c1-9(2)6-7-14-12-5-4-10(15-3)8-11(12)13/h4-5,8-9H,6-7H2,1-3H3
InChI Key:
QTXNQEUGFKOVSI-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)Cl)OCCC(C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.777g/mol
Monoisotopic Mass:
244.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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