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77148-94-8 | Pyridinium, 2-[[(3-iodophenyl)methyl]thio]-1-methyl-, chloride
CAS No: 77148-94-8 Catalog No: AG0055ID MDL No:
Product Description
Catalog Number:
AG0055ID
Chemical Name:
Pyridinium, 2-[[(3-iodophenyl)methyl]thio]-1-methyl-, chloride
CAS Number:
77148-94-8
Molecular Formula:
C13H13ClINS
Molecular Weight:
377.6715
IUPAC Name:
2-[(3-iodophenyl)methylsulfanyl]-1-methylpyridin-1-ium;chloride
InChI:
InChI=1S/C13H13INS.ClH/c1-15-8-3-2-7-13(15)16-10-11-5-4-6-12(14)9-11;/h2-9H,10H2,1H3;1H/q+1;/p-1
InChI Key:
CPDHUXOBXZYNKQ-UHFFFAOYSA-M
SMILES:
Ic1cccc(c1)CSc1cccc[n+]1C.[Cl-]
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.95g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.668g/mol
Monoisotopic Mass:
376.95g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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