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866959-52-6 | 1H-Imidazole, 1-(1-pyrenylmethyl)-
CAS No: 866959-52-6 Catalog No: AG008F99 MDL No:
Product Description
Catalog Number:
AG008F99
Chemical Name:
1H-Imidazole, 1-(1-pyrenylmethyl)-
CAS Number:
866959-52-6
Molecular Formula:
C20H14N2
Molecular Weight:
282.3386
IUPAC Name:
1-(pyren-1-ylmethyl)imidazole
InChI:
InChI=1S/C20H14N2/c1-2-14-4-5-16-6-7-17(12-22-11-10-21-13-22)18-9-8-15(3-1)19(14)20(16)18/h1-11,13H,12H2
InChI Key:
JOMOBSFEGMBRGY-UHFFFAOYSA-N
SMILES:
n1ccn(c1)Cc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.346g/mol
Monoisotopic Mass:
282.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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