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115905-43-6 | 1H-Imidazole-4,5-dicarbonitrile, 2-bromo-1-methyl-
CAS No: 115905-43-6 Catalog No: AG000H2T MDL No:MFCD00174289
Product Description
Catalog Number:
AG000H2T
Chemical Name:
1H-Imidazole-4,5-dicarbonitrile, 2-bromo-1-methyl-
CAS Number:
115905-43-6
Molecular Formula:
C6H3BrN4
Molecular Weight:
211.0188
MDL Number:
MFCD00174289
IUPAC Name:
2-bromo-1-methylimidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C6H3BrN4/c1-11-5(3-9)4(2-8)10-6(11)7/h1H3
InChI Key:
ROALCCYWMDMWON-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)nc(n1C)Br
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.022g/mol
Monoisotopic Mass:
209.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Optical operation by chromophores featuring 4,5-dicyanoimidazole embedded within poly(methyl methacrylate) matrices. | The journal of physical chemistry. A 20100909 |
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