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Home > Imidazoles > 1079394-95-8
1079394-95-8 | 5-(1H-imidazol-1-yl)pyrimidine
CAS No: 1079394-95-8 Catalog No: AG019YF6 MDL No:MFCD22056416
Product Description
Catalog Number:
AG019YF6
Chemical Name:
5-(1H-imidazol-1-yl)pyrimidine
CAS Number:
1079394-95-8
Molecular Formula:
C7H6N4
Molecular Weight:
146.1493
MDL Number:
MFCD22056416
IUPAC Name:
5-imidazol-1-ylpyrimidine
InChI:
InChI=1S/C7H6N4/c1-2-11(6-8-1)7-3-9-5-10-4-7/h1-6H
InChI Key:
CMFLBNYJJCTWSD-UHFFFAOYSA-N
SMILES:
c1ncc(cn1)n1cncc1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.153g/mol
Monoisotopic Mass:
146.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Benzene-1,4-diol-5-(1H-imidazol-1-yl)pyrimidine (1/1). | Acta crystallographica. Section E, Structure reports online 20111101 |
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