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17763-70-1 | Benzoic acid, 2-[[(trifluoroMethyl)sulfonyl]oxy]-, Methyl ester
CAS No: 17763-70-1 Catalog No: AG0025FP MDL No:
Product Description
Catalog Number:
AG0025FP
Chemical Name:
Benzoic acid, 2-[[(trifluoroMethyl)sulfonyl]oxy]-, Methyl ester
CAS Number:
17763-70-1
Molecular Formula:
C9H7F3O5S
Molecular Weight:
284.2091
IUPAC Name:
methyl 2-(trifluoromethylsulfonyloxy)benzoate
InChI:
InChI=1S/C9H7F3O5S/c1-16-8(13)6-4-2-3-5-7(6)17-18(14,15)9(10,11)12/h2-5H,1H3
InChI Key:
HKJHWFNGDUGGAJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1OS(=O)(=O)C(F)(F)F
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.997g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.205g/mol
Monoisotopic Mass:
283.997g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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