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Home > Fluorides > 874640-64-9
874640-64-9 | Benzene, 1,3-difluoro-2-(phenylsulfonyl)-
CAS No: 874640-64-9 Catalog No: AG004K5G MDL No:
Product Description
Catalog Number:
AG004K5G
Chemical Name:
Benzene, 1,3-difluoro-2-(phenylsulfonyl)-
CAS Number:
874640-64-9
Molecular Formula:
C12H8F2O2S
Molecular Weight:
254.2525
IUPAC Name:
2-(benzenesulfonyl)-1,3-difluorobenzene
InChI:
InChI=1S/C12H8F2O2S/c13-10-7-4-8-11(14)12(10)17(15,16)9-5-2-1-3-6-9/h1-8H
InChI Key:
TZAWREBDANDOAV-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1S(=O)(=O)c1ccccc1)F
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.021g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.251g/mol
Monoisotopic Mass:
254.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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