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140947-39-3 | 2-Thiophenecarboxylic acid, 3-[(methylphenylamino)sulfonyl]-
CAS No: 140947-39-3 Catalog No: AG001FO6 MDL No:
Product Description
Catalog Number:
AG001FO6
Chemical Name:
2-Thiophenecarboxylic acid, 3-[(methylphenylamino)sulfonyl]-
CAS Number:
140947-39-3
Molecular Formula:
C12H11NO4S2
Molecular Weight:
297.3500
IUPAC Name:
3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylic acid
InChI:
InChI=1S/C12H11NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)10-7-8-18-11(10)12(14)15/h2-8H,1H3,(H,14,15)
InChI Key:
QKNGXYXWCKMHSO-UHFFFAOYSA-N
SMILES:
OC(=O)c1sccc1S(=O)(=O)N(c1ccccc1)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.013g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.343g/mol
Monoisotopic Mass:
297.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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