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1443335-25-8 | 3-iso-Butoxy-4,5-difluorophenyl methyl sulfide
CAS No: 1443335-25-8 Catalog No: AG01FA4G MDL No:
Product Description
Catalog Number:
AG01FA4G
Chemical Name:
3-iso-Butoxy-4,5-difluorophenyl methyl sulfide
CAS Number:
1443335-25-8
Molecular Formula:
C11H14F2OS
Molecular Weight:
232.2901
IUPAC Name:
1,2-difluoro-3-(2-methylpropoxy)-5-methylsulfanylbenzene
InChI:
InChI=1S/C11H14F2OS/c1-7(2)6-14-10-5-8(15-3)4-9(12)11(10)13/h4-5,7H,6H2,1-3H3
InChI Key:
MYZAPVPARZHPFS-UHFFFAOYSA-N
SMILES:
CSc1cc(OCC(C)C)c(c(c1)F)F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.289g/mol
Monoisotopic Mass:
232.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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