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Home > Fluorides > 247569-56-8
247569-56-8 | Benzoic acid, 2-fluoro-5-(methylsulfonyl)-
CAS No: 247569-56-8 Catalog No: AG002PBX MDL No:MFCD11179900
Product Description
Catalog Number:
AG002PBX
Chemical Name:
Benzoic acid, 2-fluoro-5-(methylsulfonyl)-
CAS Number:
247569-56-8
Molecular Formula:
C8H7FO4S
Molecular Weight:
218.2022
MDL Number:
MFCD11179900
IUPAC Name:
2-fluoro-5-methylsulfonylbenzoic acid
InChI:
InChI=1S/C8H7FO4S/c1-14(12,13)5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
ACBAHAXPEQHVHO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1F)S(=O)(=O)C
EC Number:
689-137-0
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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