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Home > Fluorides > 773873-55-5
773873-55-5 | 5-Fluoro-2-(methylsulfonyl);benzoic acid
CAS No: 773873-55-5 Catalog No: AG005BKF MDL No:MFCD04037937
Product Description
Catalog Number:
AG005BKF
Chemical Name:
5-Fluoro-2-(methylsulfonyl);benzoic acid
CAS Number:
773873-55-5
Molecular Formula:
C8H7FO4S
Molecular Weight:
218.2022
MDL Number:
MFCD04037937
IUPAC Name:
5-fluoro-2-methylsulfonylbenzoic acid
InChI:
InChI=1S/C8H7FO4S/c1-14(12,13)7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
UYODNSHQTPLEAS-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)S(=O)(=O)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.005g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.198g/mol
Monoisotopic Mass:
218.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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