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Home Sulfos Methyl 3-fluoro-4-(methylsulfonyl)benzoate

Methyl 3-fluoro-4-(methylsulfonyl)benzoate

CAS No.:
1215074-49-9
Catalog Number:
AG001541
Molecular Formula:
C9H9FO4S
Molecular Weight:
232.2288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$119
- +
5g
95%
In Stock USA
United States
$369
- +
25g
95%
In Stock USA
United States
$1125
- +
Product Description
Catalog Number:
AG001541
Chemical Name:
Methyl 3-fluoro-4-(methylsulfonyl)benzoate
CAS Number:
1215074-49-9
Molecular Formula:
C9H9FO4S
Molecular Weight:
232.2288
MDL Number:
MFCD15143295
IUPAC Name:
methyl 3-fluoro-4-methylsulfonylbenzoate
InChI:
InChI=1S/C9H9FO4S/c1-14-9(11)6-3-4-8(7(10)5-6)15(2,12)13/h3-5H,1-2H3
InChI Key:
ACDGZYOVJKPTRE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)F)S(=O)(=O)C
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.021g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.225g/mol
Monoisotopic Mass:
232.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties