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Home > Fluorides > 828270-61-7
828270-61-7 | Benzene, 2-fluoro-1-methyl-3-(methylsulfonyl)-
CAS No: 828270-61-7 Catalog No: AG004X05 MDL No:
Product Description
Catalog Number:
AG004X05
Chemical Name:
Benzene, 2-fluoro-1-methyl-3-(methylsulfonyl)-
CAS Number:
828270-61-7
Molecular Formula:
C8H9FO2S
Molecular Weight:
188.2193
IUPAC Name:
2-fluoro-1-methyl-3-methylsulfonylbenzene
InChI:
InChI=1S/C8H9FO2S/c1-6-4-3-5-7(8(6)9)12(2,10)11/h3-5H,1-2H3
InChI Key:
NQPFKAHWHCWJFX-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1F)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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