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17434-95-6 | Pyridinium, 1-(4-methoxyphenyl)-, chloride (1:1)
CAS No: 17434-95-6 Catalog No: AG001ZLV MDL No:
Product Description
Catalog Number:
AG001ZLV
Chemical Name:
Pyridinium, 1-(4-methoxyphenyl)-, chloride (1:1)
CAS Number:
17434-95-6
Molecular Formula:
C12H12ClNO
Molecular Weight:
221.6828
IUPAC Name:
1-(4-methoxyphenyl)pyridin-1-ium;chloride
InChI:
InChI=1S/C12H12NO.ClH/c1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13;/h2-10H,1H3;1H/q+1;/p-1
InChI Key:
UVFXYTDNBPQHGV-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)[n+]1ccccc1.[Cl-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.684g/mol
Monoisotopic Mass:
221.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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