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Home > Pyridines > 1016747-04-8
1016747-04-8 | 4-[(pyridin-4-yl)sulfamoyl]benzoic acid
CAS No: 1016747-04-8 Catalog No: AG019MGL MDL No:MFCD09815723
Product Description
Catalog Number:
AG019MGL
Chemical Name:
4-[(pyridin-4-yl)sulfamoyl]benzoic acid
CAS Number:
1016747-04-8
Molecular Formula:
C12H10N2O4S
Molecular Weight:
278.2838
MDL Number:
MFCD09815723
IUPAC Name:
4-(pyridin-4-ylsulfamoyl)benzoic acid
InChI:
InChI=1S/C12H10N2O4S/c15-12(16)9-1-3-11(4-2-9)19(17,18)14-10-5-7-13-8-6-10/h1-8H,(H,13,14)(H,15,16)
InChI Key:
QQNKGFIGOAHUQQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccncc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.282g/mol
Monoisotopic Mass:
278.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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