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Home > Fluorides > 115909-68-7
115909-68-7 | Benzene, 1-[(fluoromethyl)sulfonyl]-4-methyl-
CAS No: 115909-68-7 Catalog No: AG000H3T MDL No:
Product Description
Catalog Number:
AG000H3T
Chemical Name:
Benzene, 1-[(fluoromethyl)sulfonyl]-4-methyl-
CAS Number:
115909-68-7
Molecular Formula:
C8H9FO2S
Molecular Weight:
188.2193
IUPAC Name:
1-(fluoromethylsulfonyl)-4-methylbenzene
InChI:
InChI=1S/C8H9FO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h2-5H,6H2,1H3
InChI Key:
GPSFCZMIFHDMJF-UHFFFAOYSA-N
SMILES:
FCS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
222
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:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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