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885268-94-0 | 4-((3-Methylphenyl)sulfonamido)benzoic acid
CAS No: 885268-94-0 Catalog No: AG01FN0S MDL No:MFCD06409391
Product Description
Catalog Number:
AG01FN0S
Chemical Name:
4-((3-Methylphenyl)sulfonamido)benzoic acid
CAS Number:
885268-94-0
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
MDL Number:
MFCD06409391
IUPAC Name:
4-[(3-methylphenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C14H13NO4S/c1-10-3-2-4-13(9-10)20(18,19)15-12-7-5-11(6-8-12)14(16)17/h2-9,15H,1H3,(H,16,17)
InChI Key:
NVDUMVGFCWZZSM-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.321g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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