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1261974-64-4 | [1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-2'-(methylthio)-
CAS No: 1261974-64-4 Catalog No: AG000S9W MDL No:MFCD18320463
Product Description
Catalog Number:
AG000S9W
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-2'-(methylthio)-
CAS Number:
1261974-64-4
Molecular Formula:
C14H11FO2S
Molecular Weight:
262.2993
MDL Number:
MFCD18320463
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
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