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87943-29-1

87943-29-1 | Acetamide, 2,2,2-trifluoro-N-[3-[(4-methylphenyl)sulfinyl]propyl]-

CAS No: 87943-29-1 Catalog No: AG004GRT MDL No:

Product Description

Catalog Number:
AG004GRT
Chemical Name:
Acetamide, 2,2,2-trifluoro-N-[3-[(4-methylphenyl)sulfinyl]propyl]-
CAS Number:
87943-29-1
Molecular Formula:
C12H14F3NO2S
Molecular Weight:
293.3053
IUPAC Name:
2,2,2-trifluoro-N-[3-(4-methylphenyl)sulfinylpropyl]acetamide
InChI:
InChI=1S/C12H14F3NO2S/c1-9-3-5-10(6-4-9)19(18)8-2-7-16-11(17)12(13,14)15/h3-6H,2,7-8H2,1H3,(H,16,17)
InChI Key:
LDBDHLITYKPARC-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)NCCCS(=O)c1ccc(cc1)C

Properties

Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.07g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
293.304g/mol
Monoisotopic Mass:
293.07g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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