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86156-94-7 | Benzenesulfonic acid,3-fluoro-4-nitro-
CAS No: 86156-94-7 Catalog No: AG004TJN MDL No:
Product Description
Catalog Number:
AG004TJN
Chemical Name:
Benzenesulfonic acid,3-fluoro-4-nitro-
CAS Number:
86156-94-7
Molecular Formula:
C6H4FNO5S
Molecular Weight:
221.1631
IUPAC Name:
3-fluoro-4-nitrobenzenesulfonic acid
InChI:
InChI=1S/C6H4FNO5S/c7-5-3-4(14(11,12)13)1-2-6(5)8(9)10/h1-3H,(H,11,12,13)
InChI Key:
QHCAHAXGOGJVLY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1F)S(=O)(=O)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.158g/mol
Monoisotopic Mass:
220.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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