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89262-14-6 | Thiazolium, 2,4-dimethyl-3-(2-oxo-2-phenylethyl)-, perchlorate
CAS No: 89262-14-6 Catalog No: AG0087QH MDL No:
Product Description
Catalog Number:
AG0087QH
Chemical Name:
Thiazolium, 2,4-dimethyl-3-(2-oxo-2-phenylethyl)-, perchlorate
CAS Number:
89262-14-6
Molecular Formula:
C13H14ClNO5S
Molecular Weight:
331.7720
IUPAC Name:
2-(2,4-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone;perchlorate
InChI:
InChI=1S/C13H14NOS.ClHO4/c1-10-9-16-11(2)14(10)8-13(15)12-6-4-3-5-7-12;2-1(3,4)5/h3-7,9H,8H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
RPPHAODGIGLAEZ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.O=C(c1ccccc1)C[n+]1c(C)csc1C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.028g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.767g/mol
Monoisotopic Mass:
331.028g/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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