1H-Imidazole-5-carboxaldehyde, 4-bromo-1-methyl-


Chemical Name: 1H-Imidazole-5-carboxaldehyde, 4-bromo-1-methyl-
CAS Number: 141524-74-5
Product Number: AG001GK5(AGN-PC-0KKVB5)
Synonyms:
MDL No:
Molecular Formula: C5H5BrN2O
Molecular Weight: 189.0100

Identification/Properties


Properties
MP:
87-92 °C
BP:
349.115 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
189.012g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
187.959g/mol
Monoisotopic Mass:
187.959g/mol
Topological Polar Surface Area:
34.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
120
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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