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16076-27-0 | 1H-Imidazole, 2-bromo-4,5-dichloro-
CAS No: 16076-27-0 Catalog No: AG001VBQ MDL No:MFCD00067894
Product Description
Catalog Number:
AG001VBQ
Chemical Name:
1H-Imidazole, 2-bromo-4,5-dichloro-
CAS Number:
16076-27-0
Molecular Formula:
C3HBrCl2N2
Molecular Weight:
215.8634
MDL Number:
MFCD00067894
IUPAC Name:
2-bromo-4,5-dichloro-1H-imidazole
InChI:
InChI=1S/C3HBrCl2N2/c4-3-7-1(5)2(6)8-3/h(H,7,8)
InChI Key:
SULQOTGFPPFUMG-UHFFFAOYSA-N
SMILES:
Brc1[nH]c(c(n1)Cl)Cl
NSC Number:
226574
Properties
Complexity:
91.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.87g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.859g/mol
Monoisotopic Mass:
213.87g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral evaluation of polyhalogenated imidazole nucleosides: dimensional analogues of 2,5,6-trichloro-1-(beta-D-ribofuranosyl)benzimidazole. | Journal of medicinal chemistry 20041104 |
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