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15619-48-4 | Quinolinium, 1-(phenylmethyl)-, chloride (1:1)
CAS No: 15619-48-4 Catalog No: AG001OKJ MDL No:
Product Description
Catalog Number:
AG001OKJ
Chemical Name:
Quinolinium, 1-(phenylmethyl)-, chloride (1:1)
CAS Number:
15619-48-4
Molecular Formula:
C16H14ClN
Molecular Weight:
255.7421
IUPAC Name:
1-benzylquinolin-1-ium;chloride
InChI:
InChI=1S/C16H14N.ClH/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16(15)17;/h1-12H,13H2;1H/q+1;/p-1
InChI Key:
GFEJZIULYONCQB-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C[n+]1cccc2c1cccc2.[Cl-]
EC Number:
239-695-2
NSC Number:
190376
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.745g/mol
Monoisotopic Mass:
255.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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