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23662-66-0 | Pyridinium, 4-methyl-1-(phenylmethyl)-, chloride (1:1)
CAS No: 23662-66-0 Catalog No: AG002O2K MDL No:MFCD00635796
Product Description
Catalog Number:
AG002O2K
Chemical Name:
Pyridinium, 4-methyl-1-(phenylmethyl)-, chloride (1:1)
CAS Number:
23662-66-0
Molecular Formula:
C13H14ClN
Molecular Weight:
219.7100
MDL Number:
MFCD00635796
IUPAC Name:
1-benzyl-4-methylpyridin-1-ium;chloride
InChI:
InChI=1S/C13H14N.ClH/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChI Key:
LJHMBIINLKLHSI-UHFFFAOYSA-M
SMILES:
Cc1cc[n+](cc1)Cc1ccccc1.[Cl-]
NSC Number:
157552
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.712g/mol
Monoisotopic Mass:
219.081g/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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