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1016788-23-0 | Benzoic acid, 5-fluoro-2-[(methylsulfonyl)amino]-
CAS No: 1016788-23-0 Catalog No: AG000570 MDL No:MFCD09949279
Product Description
Catalog Number:
AG000570
Chemical Name:
Benzoic acid, 5-fluoro-2-[(methylsulfonyl)amino]-
CAS Number:
1016788-23-0
Molecular Formula:
C8H8FNO4S
Molecular Weight:
233.2168
MDL Number:
MFCD09949279
IUPAC Name:
5-fluoro-2-(methanesulfonamido)benzoic acid
InChI:
InChI=1S/C8H8FNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChI Key:
QDIQHFNTURTELA-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)NS(=O)(=O)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.016g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.213g/mol
Monoisotopic Mass:
233.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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