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145817-08-9 | Benzene, 1-[(butylsulfinyl)methyl]-4-(chloromethyl)-
CAS No: 145817-08-9 Catalog No: AG001DFY MDL No:
Product Description
Catalog Number:
AG001DFY
Chemical Name:
Benzene, 1-[(butylsulfinyl)methyl]-4-(chloromethyl)-
CAS Number:
145817-08-9
Molecular Formula:
C12H17ClOS
Molecular Weight:
244.7808
IUPAC Name:
1-(butylsulfinylmethyl)-4-(chloromethyl)benzene
InChI:
InChI=1S/C12H17ClOS/c1-2-3-8-15(14)10-12-6-4-11(9-13)5-7-12/h4-7H,2-3,8-10H2,1H3
InChI Key:
GIIKBEPCKGKIRT-UHFFFAOYSA-N
SMILES:
CCCCS(=O)Cc1ccc(cc1)CCl
Properties
Complexity:
188
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:
6
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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