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Home > Imidazoles > 188890-72-4
188890-72-4 | 2H-Tetrazole, 5-[4-(1H-imidazol-1-yl)phenyl]-
CAS No: 188890-72-4 Catalog No: AG002HFW MDL No:MFCD00138188
Product Description
Catalog Number:
AG002HFW
Chemical Name:
2H-Tetrazole, 5-[4-(1H-imidazol-1-yl)phenyl]-
CAS Number:
188890-72-4
Molecular Formula:
C10H8N6
Molecular Weight:
212.2107
MDL Number:
MFCD00138188
IUPAC Name:
5-(4-imidazol-1-ylphenyl)-2H-tetrazole
InChI:
InChI=1S/C10H8N6/c1-3-9(16-6-5-11-7-16)4-2-8(1)10-12-14-15-13-10/h1-7H,(H,12,13,14,15)
InChI Key:
WHAKQPDVCLWKOT-UHFFFAOYSA-N
SMILES:
n1ccn(c1)c1ccc(cc1)c1nn[nH]n1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.081g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.216g/mol
Monoisotopic Mass:
212.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Tetra-aqua-bis-{5-[4-(imidazol-1-yl-κN)phen-yl]tetra-zolido}manganese(II). | Acta crystallographica. Section E, Structure reports online 20111201 |
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