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23369-64-4 | Pyridinium, 4-[(1E)-2-phenylethenyl]-1-(phenylmethyl)-, chloride (9CI)
CAS No: 23369-64-4 Catalog No: AG002MZR MDL No:
Product Description
Catalog Number:
AG002MZR
Chemical Name:
Pyridinium, 4-[(1E)-2-phenylethenyl]-1-(phenylmethyl)-, chloride (9CI)
CAS Number:
23369-64-4
Molecular Formula:
C20H18ClN
Molecular Weight:
307.8166
IUPAC Name:
1-benzyl-4-(2-phenylethenyl)pyridin-1-ium
InChI:
InChI=1S/C20H18N/c1-3-7-18(8-4-1)11-12-19-13-15-21(16-14-19)17-20-9-5-2-6-10-20/h1-16H,17H2/q+1
InChI Key:
VYGFEULQRXSUSO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)/C=C/c1cc[n+](cc1)Cc1ccccc1.[Cl-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.144g/mol
Formal Charge:
1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.371g/mol
Monoisotopic Mass:
272.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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