1H-Pyrrole-2-carboxylic acid, 4-bromo-1-methyl-, methyl ester


Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-bromo-1-methyl-, methyl ester
CAS Number: 1196-90-3
Product Number: AG000P94(AGN-PC-008U76)
Synonyms:
MDL No:
Molecular Formula: C7H8BrNO2
Molecular Weight: 218.0479

Identification/Properties


Properties
MP:
63-65 °C
BP:
263.1 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
218.05g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
216.974g/mol
Monoisotopic Mass:
216.974g/mol
Topological Polar Surface Area:
31.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
163
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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