Home Halogens Methyl 2,5-dibromo-1H-imidazole-4-carboxylate

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

CAS No.:
883876-21-9
Catalog Number:
AG003FWO
Molecular Formula:
C5H4Br2N2O2
Molecular Weight:
283.9055
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Product Description
Catalog Number:
AG003FWO
Chemical Name:
Methyl 2,5-dibromo-1H-imidazole-4-carboxylate
CAS Number:
883876-21-9
Molecular Formula:
C5H4Br2N2O2
Molecular Weight:
283.9055
MDL Number:
MFCD17011788
IUPAC Name:
methyl 2,5-dibromo-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C5H4Br2N2O2/c1-11-4(10)2-3(6)9-5(7)8-2/h1H3,(H,8,9)
InChI Key:
GZZUUHHVKJJFKF-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc([nH]c1Br)Br
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.862g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.907g/mol
Monoisotopic Mass:
281.864g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties