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Home > Fluorides > 1379365-33-9
1379365-33-9 | 3,5-Difluoro-4-n-propoxyphenyl methyl sulfide
CAS No: 1379365-33-9 Catalog No: AG01FAC6 MDL No:
Product Description
Catalog Number:
AG01FAC6
Chemical Name:
3,5-Difluoro-4-n-propoxyphenyl methyl sulfide
CAS Number:
1379365-33-9
Molecular Formula:
C10H12F2OS
Molecular Weight:
218.2635
IUPAC Name:
1,3-difluoro-5-methylsulfanyl-2-propoxybenzene
InChI:
InChI=1S/C10H12F2OS/c1-3-4-13-10-8(11)5-7(14-2)6-9(10)12/h5-6H,3-4H2,1-2H3
InChI Key:
ZGIQHLIGWMHUDW-UHFFFAOYSA-N
SMILES:
CCCOc1c(F)cc(cc1F)SC
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.262g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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