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19422-13-0 | 2-(4-methoxyphenyl)-3,4-dimethyl-1,3-thiazol-3-ium iodide
CAS No: 19422-13-0 Catalog No: AG007RPV MDL No:
Product Description
Catalog Number:
AG007RPV
Chemical Name:
2-(4-methoxyphenyl)-3,4-dimethyl-1,3-thiazol-3-ium iodide
CAS Number:
19422-13-0
Molecular Formula:
C12H14INOS
Molecular Weight:
347.2151
IUPAC Name:
2-(4-methoxyphenyl)-3,4-dimethyl-1,3-thiazol-3-ium;iodide
InChI:
InChI=1S/C12H14NOS.HI/c1-9-8-15-12(13(9)2)10-4-6-11(14-3)7-5-10;/h4-8H,1-3H3;1H/q+1;/p-1
InChI Key:
LQPKEVXTJAQKIF-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)c1scc([n+]1C)C.[I-]
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.214g/mol
Monoisotopic Mass:
346.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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