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Home > Nitro Compounds > 89717-62-4
89717-62-4 | Thiazolium, 5-ethoxy-2,3-dimethyl-4-nitro-, perchlorate
CAS No: 89717-62-4 Catalog No: AG0042KT MDL No:
Product Description
Catalog Number:
AG0042KT
Chemical Name:
Thiazolium, 5-ethoxy-2,3-dimethyl-4-nitro-, perchlorate
CAS Number:
89717-62-4
Molecular Formula:
C7H11ClN2O7S
Molecular Weight:
302.6894
IUPAC Name:
5-ethoxy-2,3-dimethyl-4-nitro-1,3-thiazol-3-ium;perchlorate
InChI:
InChI=1S/C7H11N2O3S.ClHO4/c1-4-12-7-6(9(10)11)8(3)5(2)13-7;2-1(3,4)5/h4H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
LIKYGWDLWMFTEA-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCOc1sc([n+](c1[N+](=O)[O-])C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.682g/mol
Monoisotopic Mass:
301.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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