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114832-22-3 | Benzoic acid, 2-hydroxy-5-[(methylphenylamino)sulfonyl]-
CAS No: 114832-22-3 Catalog No: AG000FBW MDL No:
Product Description
Catalog Number:
AG000FBW
Chemical Name:
Benzoic acid, 2-hydroxy-5-[(methylphenylamino)sulfonyl]-
CAS Number:
114832-22-3
Molecular Formula:
C14H13NO5S
Molecular Weight:
307.3217
IUPAC Name:
2-hydroxy-5-[methyl(phenyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C14H13NO5S/c1-15(10-5-3-2-4-6-10)21(19,20)11-7-8-13(16)12(9-11)14(17)18/h2-9,16H,1H3,(H,17,18)
InChI Key:
WFVQTPMWADKZPX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1O)S(=O)(=O)N(c1ccccc1)C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.32g/mol
Monoisotopic Mass:
307.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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