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Home > Fluorides > 125261-30-5
125261-30-5 | Benzoic acid, 4-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester
CAS No: 125261-30-5 Catalog No: AG000NEW MDL No:
Product Description
Catalog Number:
AG000NEW
Chemical Name:
Benzoic acid, 4-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester
CAS Number:
125261-30-5
Molecular Formula:
C10H9F3O5S
Molecular Weight:
298.2357
IUPAC Name:
ethyl 4-(trifluoromethylsulfonyloxy)benzoate
InChI:
InChI=1S/C10H9F3O5S/c1-2-17-9(14)7-3-5-8(6-4-7)18-19(15,16)10(11,12)13/h3-6H,2H2,1H3
InChI Key:
IMOXRQSICNVOFP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.012g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.232g/mol
Monoisotopic Mass:
298.012g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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