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26574-59-4 | Benzene, 1-chloro-4-[(2-chloro-1,1,2-trifluoroethyl)sulfonyl]-
CAS No: 26574-59-4 Catalog No: AG002TR9 MDL No:
Product Description
Catalog Number:
AG002TR9
Chemical Name:
Benzene, 1-chloro-4-[(2-chloro-1,1,2-trifluoroethyl)sulfonyl]-
CAS Number:
26574-59-4
Molecular Formula:
C8H5Cl2F3O2S
Molecular Weight:
293.0903
IUPAC Name:
1-chloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfonylbenzene
InChI:
InChI=1S/C8H5Cl2F3O2S/c9-5-1-3-6(4-2-5)16(14,15)8(12,13)7(10)11/h1-4,7H
InChI Key:
FLVTUGVCOUUNCK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)C(C(Cl)F)(F)F
EC Number:
247-819-1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.934g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.081g/mol
Monoisotopic Mass:
291.934g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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