5-bromo-1H-pyrrole-2-carboxylic acid


Chemical Name: 5-bromo-1H-pyrrole-2-carboxylic acid
CAS Number: 28383-57-5
Product Number: AG00BIAK(AGN-PC-042Y6E)
Synonyms:
MDL No:
Molecular Formula: C5H4BrNO2
Molecular Weight: 189.9948

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
189.996g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
188.943g/mol
Monoisotopic Mass:
188.943g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
128
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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