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2489-52-3 | Benzenesulfonyl fluoride, 3-(chlorosulfonyl)-
CAS No: 2489-52-3 Catalog No: AG002PR7 MDL No:MFCD00007436
Product Description
Catalog Number:
AG002PR7
Chemical Name:
Benzenesulfonyl fluoride, 3-(chlorosulfonyl)-
CAS Number:
2489-52-3
Molecular Formula:
C6H4ClFO4S2
Molecular Weight:
258.6750
MDL Number:
MFCD00007436
IUPAC Name:
3-chlorosulfonylbenzenesulfonyl fluoride
InChI:
InChI=1S/C6H4ClFO4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H
InChI Key:
ZPGHDPUCQANFAD-UHFFFAOYSA-N
SMILES:
FS(=O)(=O)c1cccc(c1)S(=O)(=O)Cl
EC Number:
219-643-5
NSC Number:
310025
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.922g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.662g/mol
Monoisotopic Mass:
257.922g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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