Home Other Building Blocks 3-Fluoro-4-(2-methylthiophenyl)benzoic acid

3-Fluoro-4-(2-methylthiophenyl)benzoic acid

CAS No.:
1261974-64-4
Catalog Number:
AG000S9W
Molecular Formula:
C14H11FO2S
Molecular Weight:
262.2993
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG000S9W
Chemical Name:
3-Fluoro-4-(2-methylthiophenyl)benzoic acid
CAS Number:
1261974-64-4
Molecular Formula:
C14H11FO2S
Molecular Weight:
262.2993
MDL Number:
MFCD22123690
IUPAC Name:
3-fluoro-4-(2-methylsulfanylphenyl)benzoic acid
InChI:
InChI=1S/C14H11FO2S/c1-18-13-5-3-2-4-11(13)10-7-6-9(14(16)17)8-12(10)15/h2-8H,1H3,(H,16,17)
InChI Key:
UXVKDWAWWSHTRY-UHFFFAOYSA-N
SMILES:
CSc1ccccc1c1ccc(cc1F)C(=O)O
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.046g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.298g/mol
Monoisotopic Mass:
262.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties