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Home > Imidazoles > 178556-61-1
178556-61-1 | 1H-Imidazole, 5-(2,3-dihydro-1H-phenalen-1-yl)-
CAS No: 178556-61-1 Catalog No: AG00265N MDL No:
Product Description
Catalog Number:
AG00265N
Chemical Name:
1H-Imidazole, 5-(2,3-dihydro-1H-phenalen-1-yl)-
CAS Number:
178556-61-1
Molecular Formula:
C16H14N2
Molecular Weight:
234.2958
IUPAC Name:
5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole
InChI:
InChI=1S/C16H14N2/c1-3-11-5-2-6-14-13(15-9-17-10-18-15)8-7-12(4-1)16(11)14/h1-6,9-10,13H,7-8H2,(H,17,18)
InChI Key:
KFGFWNKBPWPCKX-UHFFFAOYSA-N
SMILES:
c1ncc([nH]1)C1CCc2c3c1cccc3ccc2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.302g/mol
Monoisotopic Mass:
234.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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