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197157-66-7 | Methanone, 1H-imidazol-1-yl-1-pyrenyl-
CAS No: 197157-66-7 Catalog No: AG002ALY MDL No:
Product Description
Catalog Number:
AG002ALY
Chemical Name:
Methanone, 1H-imidazol-1-yl-1-pyrenyl-
CAS Number:
197157-66-7
Molecular Formula:
C20H12N2O
Molecular Weight:
296.3221
IUPAC Name:
imidazol-1-yl(pyren-1-yl)methanone
InChI:
InChI=1S/C20H12N2O/c23-20(22-11-10-21-12-22)17-9-7-15-5-4-13-2-1-3-14-6-8-16(17)19(15)18(13)14/h1-12H
InChI Key:
YVMCUYUULOOICD-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c3c1ccc1c3c(cc2)ccc1)n1ccnc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.329g/mol
Monoisotopic Mass:
296.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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