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2302-25-2 | 1H-Imidazole, 5-bromo-
CAS No: 2302-25-2 Catalog No: AG002LWO MDL No:MFCD00047021
Product Description
Catalog Number:
AG002LWO
Chemical Name:
1H-Imidazole, 5-bromo-
CAS Number:
2302-25-2
Molecular Formula:
C3H3BrN2
Molecular Weight:
146.9733
MDL Number:
MFCD00047021
IUPAC Name:
5-bromo-1H-imidazole
InChI:
InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChI Key:
FHZALEJIENDROK-UHFFFAOYSA-N
SMILES:
Brc1cnc[nH]1
Properties
Complexity:
48.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.948g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.975g/mol
Monoisotopic Mass:
145.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. | The Biochemical journal 20101001 |
| Inhibitive properties and surface morphology of a group of heterocyclic diazoles as inhibitors for acidic iron corrosion. | Langmuir : the ACS journal of surfaces and colloids 20051220 |
| Investigations of photolysis and rebinding kinetics in myoglobin using proximal ligand replacements. | Biochemistry 20040831 |
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