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89262-20-4 | Thiazolium, 3-[2-(4-chlorophenyl)-2-oxoethyl]-2,4-dimethyl-, perchlorate
CAS No: 89262-20-4 Catalog No: AG0041YL MDL No:
Product Description
Catalog Number:
AG0041YL
Chemical Name:
Thiazolium, 3-[2-(4-chlorophenyl)-2-oxoethyl]-2,4-dimethyl-, perchlorate
CAS Number:
89262-20-4
Molecular Formula:
C13H13Cl2NO5S
Molecular Weight:
366.2170
IUPAC Name:
1-(4-chlorophenyl)-2-(2,4-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone;perchlorate
InChI:
InChI=1S/C13H13ClNOS.ClHO4/c1-9-8-17-10(2)15(9)7-13(16)11-3-5-12(14)6-4-11;2-1(3,4)5/h3-6,8H,7H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
CFBRPEDPTYNXTH-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Clc1ccc(cc1)C(=O)C[n+]1c(C)csc1C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.989g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.209g/mol
Monoisotopic Mass:
364.989g/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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