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84794-98-9 | Benzenesulfonic acid,5-(4-fluorobenzoyl)-4-hydroxy-2-methoxy-
CAS No: 84794-98-9 Catalog No: AG004XFN MDL No:
Product Description
Catalog Number:
AG004XFN
Chemical Name:
Benzenesulfonic acid,5-(4-fluorobenzoyl)-4-hydroxy-2-methoxy-
CAS Number:
84794-98-9
Molecular Formula:
C14H11FO6S
Molecular Weight:
326.2969
IUPAC Name:
5-(4-fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulfonic acid
InChI:
InChI=1S/C14H11FO6S/c1-21-12-7-11(16)10(6-13(12)22(18,19)20)14(17)8-2-4-9(15)5-3-8/h2-7,16H,1H3,(H,18,19,20)
InChI Key:
JQQGRPUCPLTRPG-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c1ccc(cc1)F
EC Number:
284-164-0
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.026g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.294g/mol
Monoisotopic Mass:
326.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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