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1443351-02-7 | 3-n-Butoxy-4,5-difluorophenyl methyl sulfide
CAS No: 1443351-02-7 Catalog No: AG01FAQ1 MDL No:
Product Description
Catalog Number:
AG01FAQ1
Chemical Name:
3-n-Butoxy-4,5-difluorophenyl methyl sulfide
CAS Number:
1443351-02-7
Molecular Formula:
C11H14F2OS
Molecular Weight:
232.2901
IUPAC Name:
1-butoxy-2,3-difluoro-5-methylsulfanylbenzene
InChI:
InChI=1S/C11H14F2OS/c1-3-4-5-14-10-7-8(15-2)6-9(12)11(10)13/h6-7H,3-5H2,1-2H3
InChI Key:
DGLCCGSXNFNLDD-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(SC)cc(c1F)F
Properties
Complexity:
180
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:
5
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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