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Home > Fluorides > 1447671-85-3
1447671-85-3 | 3,3,3-Trifluoropropyl p-tolyl sulfide
CAS No: 1447671-85-3 Catalog No: AG01FD7Y MDL No:MFCD25976521
Product Description
Catalog Number:
AG01FD7Y
Chemical Name:
3,3,3-Trifluoropropyl p-tolyl sulfide
CAS Number:
1447671-85-3
Molecular Formula:
C10H11F3S
Molecular Weight:
220.2545
MDL Number:
MFCD25976521
IUPAC Name:
1-methyl-4-(3,3,3-trifluoropropylsulfanyl)benzene
InChI:
InChI=1S/C10H11F3S/c1-8-2-4-9(5-3-8)14-7-6-10(11,12)13/h2-5H,6-7H2,1H3
InChI Key:
ZAQJONAKRUIBIC-UHFFFAOYSA-N
SMILES:
FC(CCSc1ccc(cc1)C)(F)F
Properties
Complexity:
159
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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