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89321-43-7 | Quinolinium, 3-cyano-1-[(4-cyanophenyl)methyl]-
CAS No: 89321-43-7 Catalog No: AG0086Z1 MDL No:
Product Description
Catalog Number:
AG0086Z1
Chemical Name:
Quinolinium, 3-cyano-1-[(4-cyanophenyl)methyl]-
CAS Number:
89321-43-7
Molecular Formula:
C18H12N3+
Molecular Weight:
270.3080
IUPAC Name:
1-[(4-cyanophenyl)methyl]quinolin-1-ium-3-carbonitrile
InChI:
InChI=1S/C18H12N3/c19-10-14-5-7-15(8-6-14)12-21-13-16(11-20)9-17-3-1-2-4-18(17)21/h1-9,13H,12H2/q+1
InChI Key:
XYIPWMPGFOPXLH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C[n+]1cc(C#N)cc2c1cccc2
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.103g/mol
Formal Charge:
1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.315g/mol
Monoisotopic Mass:
270.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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