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126146-01-8 | Benzoic acid, 4-[[(2,5-dimethylphenyl)sulfonyl]amino]-
CAS No: 126146-01-8 Catalog No: AG000RSE MDL No:MFCD02706676
Product Description
Catalog Number:
AG000RSE
Chemical Name:
Benzoic acid, 4-[[(2,5-dimethylphenyl)sulfonyl]amino]-
CAS Number:
126146-01-8
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
MDL Number:
MFCD02706676
IUPAC Name:
4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C15H15NO4S/c1-10-3-4-11(2)14(9-10)21(19,20)16-13-7-5-12(6-8-13)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChI Key:
MGFQTAXIYWVXQN-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)C(=O)O)C
Properties
Complexity:
463
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:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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