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162759-92-4 | 1H-Imidazole-2-carbonitrile, 4-bromo-1-methyl-5-nitro-
CAS No: 162759-92-4 Catalog No: AG001TEZ MDL No:
Product Description
Catalog Number:
AG001TEZ
Chemical Name:
1H-Imidazole-2-carbonitrile, 4-bromo-1-methyl-5-nitro-
CAS Number:
162759-92-4
Molecular Formula:
C5H3BrN4O2
Molecular Weight:
231.0069
IUPAC Name:
4-bromo-1-methyl-5-nitroimidazole-2-carbonitrile
InChI:
InChI=1S/C5H3BrN4O2/c1-9-3(2-7)8-4(6)5(9)10(11)12/h1H3
InChI Key:
KEJOPOAVYGYNGK-UHFFFAOYSA-N
SMILES:
N#Cc1nc(c(n1C)[N+](=O)[O-])Br
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.944g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.009g/mol
Monoisotopic Mass:
229.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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