1H-Pyrrole-2-carboxylic acid, 5-(chlorosulfonyl)-1-methyl-, methyl ester


Chemical Name: 1H-Pyrrole-2-carboxylic acid, 5-(chlorosulfonyl)-1-methyl-, methyl ester
CAS Number: 306936-53-8
Product Number: AG0030XL(AGN-PC-0KK859)
Synonyms:
MDL No:
Molecular Formula: C7H8ClNO4S
Molecular Weight: 237.6607

Identification/Properties


Properties
MP:
79 °C
BP:
364.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
237.654g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
236.986g/mol
Monoisotopic Mass:
236.986g/mol
Topological Polar Surface Area:
73.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
323
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:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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