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142941-96-6 | Thiazolium, 4-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-, chloride
CAS No: 142941-96-6 Catalog No: AG007Z7N MDL No:
Product Description
Catalog Number:
AG007Z7N
Chemical Name:
Thiazolium, 4-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-, chloride
CAS Number:
142941-96-6
Molecular Formula:
C13H14ClNOS
Molecular Weight:
267.7744
IUPAC Name:
1-(4-methylphenyl)-2-(4-methyl-1,3-thiazol-3-ium-3-yl)ethanone;chloride
InChI:
InChI=1S/C13H14NOS.ClH/c1-10-3-5-12(6-4-10)13(15)7-14-9-16-8-11(14)2;/h3-6,8-9H,7H2,1-2H3;1H/q+1;/p-1
InChI Key:
ZMGAEJKCTLODTB-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)C(=O)C[n+]1cscc1C.[Cl-]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.771g/mol
Monoisotopic Mass:
267.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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