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54378-74-4 | Methyl(2,4,5-trifluorophenyl)sulfane
CAS No: 54378-74-4 Catalog No: AG003FLY MDL No:MFCD12026061
Product Description
Catalog Number:
AG003FLY
Chemical Name:
Methyl(2,4,5-trifluorophenyl)sulfane
CAS Number:
54378-74-4
Molecular Formula:
C7H5F3S
Molecular Weight:
178.1748
MDL Number:
MFCD12026061
IUPAC Name:
1,2,4-trifluoro-5-methylsulfanylbenzene
InChI:
InChI=1S/C7H5F3S/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3
InChI Key:
XHRKZFKNYGRFIQ-UHFFFAOYSA-N
SMILES:
CSc1cc(F)c(cc1F)F
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.006g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.172g/mol
Monoisotopic Mass:
178.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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