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885268-96-2 | 4-(((3-Methylphenyl)sulfonamido)methyl)benzoic acid
CAS No: 885268-96-2 Catalog No: AG01FN0U MDL No:MFCD06409392
Product Description
Catalog Number:
AG01FN0U
Chemical Name:
4-(((3-Methylphenyl)sulfonamido)methyl)benzoic acid
CAS Number:
885268-96-2
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
MDL Number:
MFCD06409392
IUPAC Name:
4-[[(3-methylphenyl)sulfonylamino]methyl]benzoic acid
InChI:
InChI=1S/C15H15NO4S/c1-11-3-2-4-14(9-11)21(19,20)16-10-12-5-7-13(8-6-12)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChI Key:
BRPRUWSJSTVPNI-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)O
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.348g/mol
Monoisotopic Mass:
305.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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