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158585-80-9 | 1H-Imidazole-2-carboxylic acid, 4,5-dibromo-1-methyl-
CAS No: 158585-80-9 Catalog No: AG001QBP MDL No:MFCD15527521
Product Description
Catalog Number:
AG001QBP
Chemical Name:
1H-Imidazole-2-carboxylic acid, 4,5-dibromo-1-methyl-
CAS Number:
158585-80-9
Molecular Formula:
C5H4Br2N2O2
Molecular Weight:
283.9055
MDL Number:
MFCD15527521
IUPAC Name:
4,5-dibromo-1-methylimidazole-2-carboxylic acid
InChI:
InChI=1S/C5H4Br2N2O2/c1-9-3(7)2(6)8-4(9)5(10)11/h1H3,(H,10,11)
InChI Key:
TWZLCCXVJIKZDT-UHFFFAOYSA-N
SMILES:
Brc1c(Br)nc(n1C)C(=O)O
Properties
Complexity:
178
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:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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