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Home > Fluorides > 181180-59-6
181180-59-6 | 2-(Trifluoromethyl)phenylmethylsulfoxide
CAS No: 181180-59-6 Catalog No: AG01FC3Y MDL No:MFCD18785712
Product Description
Catalog Number:
AG01FC3Y
Chemical Name:
2-(Trifluoromethyl)phenylmethylsulfoxide
CAS Number:
181180-59-6
Molecular Formula:
C8H7F3OS
Molecular Weight:
208.2008
MDL Number:
MFCD18785712
IUPAC Name:
1-methylsulfinyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H7F3OS/c1-13(12)7-5-3-2-4-6(7)8(9,10)11/h2-5H,1H3
InChI Key:
TXEMELDKEHNGLC-UHFFFAOYSA-N
SMILES:
CS(=O)c1ccccc1C(F)(F)F
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.198g/mol
Monoisotopic Mass:
208.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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