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Home > Fluorides > 1779129-46-2
1779129-46-2 | 4-Methoxyphenyl 3,3,3-trifluoropropyl sulfide
CAS No: 1779129-46-2 Catalog No: AG01FAGR MDL No:MFCD26958719
Product Description
Catalog Number:
AG01FAGR
Chemical Name:
4-Methoxyphenyl 3,3,3-trifluoropropyl sulfide
CAS Number:
1779129-46-2
Molecular Formula:
C10H11F3OS
Molecular Weight:
236.2539
MDL Number:
MFCD26958719
IUPAC Name:
1-methoxy-4-(3,3,3-trifluoropropylsulfanyl)benzene
InChI:
InChI=1S/C10H11F3OS/c1-14-8-2-4-9(5-3-8)15-7-6-10(11,12)13/h2-5H,6-7H2,1H3
InChI Key:
QRHQFTUAZAUMKC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)SCCC(F)(F)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.252g/mol
Monoisotopic Mass:
236.048g/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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