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125535-51-5

125535-51-5 | Propanoic acid, 3,3,3-trifluoro-2-[(methylsulfonyl)imino]-, methyl ester

CAS No: 125535-51-5 Catalog No: AG000NU5 MDL No:

Product Description

Catalog Number:
AG000NU5
Chemical Name:
Propanoic acid, 3,3,3-trifluoro-2-[(methylsulfonyl)imino]-, methyl ester
CAS Number:
125535-51-5
Molecular Formula:
C5H6F3NO4S
Molecular Weight:
233.1656
IUPAC Name:
methyl 3,3,3-trifluoro-2-methylsulfonyliminopropanoate
InChI:
InChI=1S/C5H6F3NO4S/c1-13-4(10)3(5(6,7)8)9-14(2,11)12/h1-2H3
InChI Key:
WTNSEPVUXGHAMW-UHFFFAOYSA-N
SMILES:
COC(=O)C(=NS(=O)(=O)C)C(F)(F)F

Properties

Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.997g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.161g/mol
Monoisotopic Mass:
232.997g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1  

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