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Home > Fluorides > 1448319-13-8
1448319-13-8 | 3-Fluoro-5-(pentafluorosulfur)benzoic acid
CAS No: 1448319-13-8 Catalog No: AG01FBDE MDL No:MFCD16652421
Product Description
Catalog Number:
AG01FBDE
Chemical Name:
3-Fluoro-5-(pentafluorosulfur)benzoic acid
CAS Number:
1448319-13-8
Molecular Formula:
C7H4F6O2S
Molecular Weight:
266.1609
MDL Number:
MFCD16652421
IUPAC Name:
3-fluoro-5-(pentafluoro-λ6-sulfanyl)benzoic acid
InChI:
InChI=1S/C7H4F6O2S/c8-5-1-4(7(14)15)2-6(3-5)16(9,10,11,12)13/h1-3H,(H,14,15)
InChI Key:
WQRFQFPUMUJGOL-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)S(F)(F)(F)(F)F)C(=O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.157g/mol
Monoisotopic Mass:
265.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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