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Home > Fluorides > 1713160-59-8
1713160-59-8 | 3,3,3-Trifluoropropyl m-tolyl sulfide
CAS No: 1713160-59-8 Catalog No: AG01FD8A MDL No:MFCD26142709
Product Description
Catalog Number:
AG01FD8A
Chemical Name:
3,3,3-Trifluoropropyl m-tolyl sulfide
CAS Number:
1713160-59-8
Molecular Formula:
C10H11F3S
Molecular Weight:
220.2545
MDL Number:
MFCD26142709
IUPAC Name:
1-methyl-3-(3,3,3-trifluoropropylsulfanyl)benzene
InChI:
InChI=1S/C10H11F3S/c1-8-3-2-4-9(7-8)14-6-5-10(11,12)13/h2-4,7H,5-6H2,1H3
InChI Key:
ZYZJYDNRULWIQA-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)SCCC(F)(F)F
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.253g/mol
Monoisotopic Mass:
220.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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