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Home > Fluorides > 1379369-42-2
1379369-42-2 | 3,5-Difluoro-2-n-propoxyphenyl methyl sulfide
CAS No: 1379369-42-2 Catalog No: AG01FAC8 MDL No:
Product Description
Catalog Number:
AG01FAC8
Chemical Name:
3,5-Difluoro-2-n-propoxyphenyl methyl sulfide
CAS Number:
1379369-42-2
Molecular Formula:
C10H12F2OS
Molecular Weight:
218.2635
IUPAC Name:
1,5-difluoro-3-methylsulfanyl-2-propoxybenzene
InChI:
InChI=1S/C10H12F2OS/c1-3-4-13-10-8(12)5-7(11)6-9(10)14-2/h5-6H,3-4H2,1-2H3
InChI Key:
XNBOSIFZJSOWPI-UHFFFAOYSA-N
SMILES:
CCCOc1c(F)cc(cc1SC)F
Properties
Complexity:
168
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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