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Home > Aldehydes > 675580-78-6
675580-78-6 | 1H-Indole-3-carboxaldehyde, 2-(1H-imidazol-1-yl)-1-phenyl-
CAS No: 675580-78-6 Catalog No: AG006EUD MDL No:
Product Description
Catalog Number:
AG006EUD
Chemical Name:
1H-Indole-3-carboxaldehyde, 2-(1H-imidazol-1-yl)-1-phenyl-
CAS Number:
675580-78-6
Molecular Formula:
C18H13N3O
Molecular Weight:
287.3153
IUPAC Name:
2-imidazol-1-yl-1-phenylindole-3-carbaldehyde
InChI:
InChI=1S/C18H13N3O/c22-12-16-15-8-4-5-9-17(15)21(14-6-2-1-3-7-14)18(16)20-11-10-19-13-20/h1-13H
InChI Key:
KYJCYVPUKYFKMJ-UHFFFAOYSA-N
SMILES:
O=Cc1c2ccccc2n(c1n1ccnc1)c1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.322g/mol
Monoisotopic Mass:
287.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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