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Home > Imidazoles > 750647-93-9
750647-93-9 | 1H-Imidazole, 1-ethynyl-2-(phenylethynyl)-
CAS No: 750647-93-9 Catalog No: AG005QZS MDL No:
Product Description
Catalog Number:
AG005QZS
Chemical Name:
1H-Imidazole, 1-ethynyl-2-(phenylethynyl)-
CAS Number:
750647-93-9
Molecular Formula:
C13H8N2
Molecular Weight:
192.2160
IUPAC Name:
1-ethynyl-2-(2-phenylethynyl)imidazole
InChI:
InChI=1S/C13H8N2/c1-2-15-11-10-14-13(15)9-8-12-6-4-3-5-7-12/h1,3-7,10-11H
InChI Key:
QQSXKYPMNYPXQF-UHFFFAOYSA-N
SMILES:
C#Cn1ccnc1C#Cc1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.221g/mol
Monoisotopic Mass:
192.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Cytotoxic 1,2-dialkynylimidazole-based aza-enediynes: aza-Bergman rearrangement rates do not predict cytotoxicity. | Journal of medicinal chemistry 20110728 |
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