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129481-43-2 | Isothiazolium, 4-ethyl-5-methyl-2-phenyl-, perchlorate (1:1)
CAS No: 129481-43-2 Catalog No: AG000Z6N MDL No:
Product Description
Catalog Number:
AG000Z6N
Chemical Name:
Isothiazolium, 4-ethyl-5-methyl-2-phenyl-, perchlorate (1:1)
CAS Number:
129481-43-2
Molecular Formula:
C12H14ClNO4S
Molecular Weight:
303.7619
IUPAC Name:
4-ethyl-5-methyl-2-phenyl-1,2-thiazol-2-ium;perchlorate
InChI:
InChI=1S/C12H14NS.ClHO4/c1-3-11-9-13(14-10(11)2)12-7-5-4-6-8-12;2-1(3,4)5/h4-9H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
VZEXHVWZSBCBHT-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCc1c[n+](sc1C)c1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.033g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.757g/mol
Monoisotopic Mass:
303.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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