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81891-76-1 | 1H-Imidazole-2-acetaldehyde, 4-phenyl-5-(3-pyridinyl)-
CAS No: 81891-76-1 Catalog No: AG005H0E MDL No:
Product Description
Catalog Number:
AG005H0E
Chemical Name:
1H-Imidazole-2-acetaldehyde, 4-phenyl-5-(3-pyridinyl)-
CAS Number:
81891-76-1
Molecular Formula:
C16H13N3O
Molecular Weight:
263.2939
IUPAC Name:
2-(5-phenyl-4-pyridin-3-yl-1H-imidazol-2-yl)acetaldehyde
InChI:
InChI=1S/C16H13N3O/c20-10-8-14-18-15(12-5-2-1-3-6-12)16(19-14)13-7-4-9-17-11-13/h1-7,9-11H,8H2,(H,18,19)
InChI Key:
CTXKGEPPYMFGCN-UHFFFAOYSA-N
SMILES:
O=CCc1nc(c([nH]1)c1cccnc1)c1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.3g/mol
Monoisotopic Mass:
263.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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