Ethyl 4,5-dibromo-1H-imidazole-2-carboxylate


Chemical Name: Ethyl 4,5-dibromo-1H-imidazole-2-carboxylate
CAS Number: 74840-99-6
Product Number: AG00ICK9(AGN-PC-0WAMEJ)
Synonyms:
MDL No: MFCD21496615
Molecular Formula: C6H6Br2N2O2
Molecular Weight: 297.9320

Identification/Properties


Computed Properties
Molecular Weight:
297.934g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
297.878g/mol
Monoisotopic Mass:
295.88g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
179
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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