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89262-16-8 | Thiazolium, 2,4-dimethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-, perchlorate
CAS No: 89262-16-8 Catalog No: AG0087QG MDL No:
Product Description
Catalog Number:
AG0087QG
Chemical Name:
Thiazolium, 2,4-dimethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-, perchlorate
CAS Number:
89262-16-8
Molecular Formula:
C14H16ClNO5S
Molecular Weight:
345.7985
IUPAC Name:
2-(2,4-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(4-methylphenyl)ethanone;perchlorate
InChI:
InChI=1S/C14H16NOS.ClHO4/c1-10-4-6-13(7-5-10)14(16)8-15-11(2)9-17-12(15)3;2-1(3,4)5/h4-7,9H,8H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
CGNCAFRQVCNDIW-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1ccc(cc1)C(=O)C[n+]1c(C)csc1C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.794g/mol
Monoisotopic Mass:
345.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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