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Home > Fluorides > 828270-59-3
828270-59-3 | 2-Fluoro-6-(methylsulfonyl)toluene
CAS No: 828270-59-3 Catalog No: AG003HAO MDL No:MFCD15527256
Product Description
Catalog Number:
AG003HAO
Chemical Name:
2-Fluoro-6-(methylsulfonyl)toluene
CAS Number:
828270-59-3
Molecular Formula:
C8H9FO2S
Molecular Weight:
188.2193
MDL Number:
MFCD15527256
IUPAC Name:
1-fluoro-2-methyl-3-methylsulfonylbenzene
InChI:
InChI=1S/C8H9FO2S/c1-6-7(9)4-3-5-8(6)12(2,10)11/h3-5H,1-2H3
InChI Key:
NLIAYVPQLLIZHN-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1C)S(=O)(=O)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.216g/mol
Monoisotopic Mass:
188.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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