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116206-82-7 | Acetyl chloride, 2-[[1-(chloromethyl)-2,2,2-trifluoroethyl]thio]-
CAS No: 116206-82-7 Catalog No: AG000BXD MDL No:
Product Description
Catalog Number:
AG000BXD
Chemical Name:
Acetyl chloride, 2-[[1-(chloromethyl)-2,2,2-trifluoroethyl]thio]-
CAS Number:
116206-82-7
Molecular Formula:
C5H5Cl2F3OS
Molecular Weight:
241.0588
IUPAC Name:
2-(3-chloro-1,1,1-trifluoropropan-2-yl)sulfanylacetyl chloride
InChI:
InChI=1S/C5H5Cl2F3OS/c6-1-3(5(8,9)10)12-2-4(7)11/h3H,1-2H2
InChI Key:
GZRITSJYOQAGFH-UHFFFAOYSA-N
SMILES:
ClCC(C(F)(F)F)SCC(=O)Cl
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.939g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.049g/mol
Monoisotopic Mass:
239.939g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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