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16681-59-7 | 2-Bromo-1-methyl-1H-imidazole
CAS No: 16681-59-7 Catalog No: AG003GM5 MDL No:MFCD02179525
Product Description
Catalog Number:
AG003GM5
Chemical Name:
2-Bromo-1-methyl-1H-imidazole
CAS Number:
16681-59-7
Molecular Formula:
C4H5BrN2
Molecular Weight:
160.9999
MDL Number:
MFCD02179525
IUPAC Name:
2-bromo-1-methylimidazole
InChI:
InChI=1S/C4H5BrN2/c1-7-3-2-6-4(7)5/h2-3H,1H3
InChI Key:
BANOTGHIHYMTDL-UHFFFAOYSA-N
SMILES:
Cn1ccnc1Br
Properties
Complexity:
66.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.964g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.002g/mol
Monoisotopic Mass:
159.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| A Sandmeyer type reaction for bromination of 2-mercapto-1-methyl-imidazoline (N2C4H6S) into 2-bromo-1-methyl-imidazole (N2C4H5Br) in presence of copper(I) bromide. | Dalton transactions (Cambridge, England : 2003) 20111121 |
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