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98349-72-5 | 1-(4-Methoxy-benzyl)-pyridinium chloride
CAS No: 98349-72-5 Catalog No: AG003D03 MDL No:
Product Description
Catalog Number:
AG003D03
Chemical Name:
1-(4-Methoxy-benzyl)-pyridinium chloride
CAS Number:
98349-72-5
Molecular Formula:
C13H14ClNO
Molecular Weight:
235.7094
IUPAC Name:
1-[(4-methoxyphenyl)methyl]pyridin-1-ium;chloride
InChI:
InChI=1S/C13H14NO.ClH/c1-15-13-7-5-12(6-8-13)11-14-9-3-2-4-10-14;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChI Key:
FDTGMZUWMNQUHV-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)C[n+]1ccccc1.[Cl-]
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.711g/mol
Monoisotopic Mass:
235.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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