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139571-64-5 | 2-Propanone, 1-[[1-(chloromethyl)-2,2,2-trifluoroethyl]thio]-
CAS No: 139571-64-5 Catalog No: AG001BAU MDL No:
Product Description
Catalog Number:
AG001BAU
Chemical Name:
2-Propanone, 1-[[1-(chloromethyl)-2,2,2-trifluoroethyl]thio]-
CAS Number:
139571-64-5
Molecular Formula:
C6H8ClF3OS
Molecular Weight:
220.6403
IUPAC Name:
1-(3-chloro-1,1,1-trifluoropropan-2-yl)sulfanylpropan-2-one
InChI:
InChI=1S/C6H8ClF3OS/c1-4(11)3-12-5(2-7)6(8,9)10/h5H,2-3H2,1H3
InChI Key:
FVUYOSSGYPVPFS-UHFFFAOYSA-N
SMILES:
ClCC(C(F)(F)F)SCC(=O)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.634g/mol
Monoisotopic Mass:
219.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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