Benzoic acid, 4-fluoro-3-(methylsulfonyl)-, methyl ester


Chemical Name: Benzoic acid, 4-fluoro-3-(methylsulfonyl)-, methyl ester
CAS Number: 160819-39-6
Product Number: AG001VE2(AGN-PC-0N9YOA)
Synonyms:
MDL No: MFCD20491420
Molecular Formula: C9H9FO4S
Molecular Weight: 232.2288

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
232.225g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
232.021g/mol
Monoisotopic Mass:
232.021g/mol
Topological Polar Surface Area:
68.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
333
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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