1H-Pyrrole-3-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-


Chemical Name: 1H-Pyrrole-3-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-
CAS Number: 106058-86-0
Product Number: AG003TDW(AGN-PC-0KK0E9)
Synonyms:
MDL No: MFCD00145013
Molecular Formula: C12H11NO4S
Molecular Weight: 265.2850

Identification/Properties


Properties
MP:
202-206 °C
BP:
501.8±52.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.4950 (estimate)
Computed Properties
Molecular Weight:
265.283g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
265.041g/mol
Monoisotopic Mass:
265.041g/mol
Topological Polar Surface Area:
84.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
406
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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