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Home > Imidazoles > 88557-60-2
88557-60-2 | 1H-Imidazole, 1-(1,1-diphenyl-3-butynyl)-
CAS No: 88557-60-2 Catalog No: AG008BKQ MDL No:
Product Description
Catalog Number:
AG008BKQ
Chemical Name:
1H-Imidazole, 1-(1,1-diphenyl-3-butynyl)-
CAS Number:
88557-60-2
Molecular Formula:
C19H16N2
Molecular Weight:
272.3437
IUPAC Name:
1-(1,1-diphenylbut-3-ynyl)imidazole
InChI:
InChI=1S/C19H16N2/c1-2-13-19(21-15-14-20-16-21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h1,3-12,14-16H,13H2
InChI Key:
JIUBVDCVONLHIM-UHFFFAOYSA-N
SMILES:
C#CCC(n1cncc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.351g/mol
Monoisotopic Mass:
272.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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