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Home > Fluorides > 370877-57-9
370877-57-9 | Methyl 3,3,3-Trifluoro-2-[toluene-4-sulfonylimino] propionate
CAS No: 370877-57-9 Catalog No: AG01F2H8 MDL No:
Product Description
Catalog Number:
AG01F2H8
Chemical Name:
Methyl 3,3,3-Trifluoro-2-[toluene-4-sulfonylimino] propionate
CAS Number:
370877-57-9
Molecular Formula:
C11H10F3NO4S
Molecular Weight:
309.2616
IUPAC Name:
methyl (2Z)-3,3,3-trifluoro-2-(4-methylphenyl)sulfonyliminopropanoate
InChI:
InChI=1S/C11H10F3NO4S/c1-7-3-5-8(6-4-7)20(17,18)15-9(10(16)19-2)11(12,13)14/h3-6H,1-2H3/b15-9-
InChI Key:
VMHZKNURFHSUDO-DHDCSXOGSA-N
SMILES:
COC(=O)/C(=N/S(=O)(=O)c1ccc(cc1)C)/C(F)(F)F
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
309.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.259g/mol
Monoisotopic Mass:
309.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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