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


Chemical Name: 1H-Pyrrole-3-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS Number: 212071-00-6
Product Number: AG00BIGQ(AGN-PC-00OTXA)
Synonyms:
MDL No:
Molecular Formula: C13H13NO4S
Molecular Weight: 279.31162

Identification/Properties


Computed Properties
Molecular Weight:
279.31g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
279.057g/mol
Monoisotopic Mass:
279.057g/mol
Topological Polar Surface Area:
73.8A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
420
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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