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309-16-0 | Benzene, 1-(trifluoromethyl)-3-[(trifluoromethyl)sulfonyl]-
CAS No: 309-16-0 Catalog No: AG0031MW MDL No:
Product Description
Catalog Number:
AG0031MW
Chemical Name:
Benzene, 1-(trifluoromethyl)-3-[(trifluoromethyl)sulfonyl]-
CAS Number:
309-16-0
Molecular Formula:
C8H4F6O2S
Molecular Weight:
278.1716
IUPAC Name:
1-(trifluoromethyl)-3-(trifluoromethylsulfonyl)benzene
InChI:
InChI=1S/C8H4F6O2S/c9-7(10,11)5-2-1-3-6(4-5)17(15,16)8(12,13)14/h1-4H
InChI Key:
IAXVRHAQVODOIL-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)S(=O)(=O)C(F)(F)F)(F)F
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.168g/mol
Monoisotopic Mass:
277.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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