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Home > Fluorides > 141694-38-4
141694-38-4 | Benzoic acid, 3-[(fluorosulfonyl)oxy]-, methyl ester
CAS No: 141694-38-4 Catalog No: AG001GWI MDL No:
Product Description
Catalog Number:
AG001GWI
Chemical Name:
Benzoic acid, 3-[(fluorosulfonyl)oxy]-, methyl ester
CAS Number:
141694-38-4
Molecular Formula:
C8H7FO5S
Molecular Weight:
234.2016
IUPAC Name:
methyl 3-fluorosulfonyloxybenzoate
InChI:
InChI=1S/C8H7FO5S/c1-13-8(10)6-3-2-4-7(5-6)14-15(9,11)12/h2-5H,1H3
InChI Key:
WNFBLVZQMPRXMH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)OS(=O)(=O)F
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.197g/mol
Monoisotopic Mass:
234g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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