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86879-79-0 | 3H-Indolium, 1,2,3,3-tetramethyl-5-nitro-, perchlorate
CAS No: 86879-79-0 Catalog No: AG004PE2 MDL No:
Product Description
Catalog Number:
AG004PE2
Chemical Name:
3H-Indolium, 1,2,3,3-tetramethyl-5-nitro-, perchlorate
CAS Number:
86879-79-0
Molecular Formula:
C12H15ClN2O6
Molecular Weight:
318.7103
IUPAC Name:
1,2,3,3-tetramethyl-5-nitroindol-1-ium;perchlorate
InChI:
InChI=1S/C12H15N2O2.ClHO4/c1-8-12(2,3)10-7-9(14(15)16)5-6-11(10)13(8)4;2-1(3,4)5/h5-7H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
ULRTYAWPBVKSAZ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.[O-][N+](=O)c1ccc2c(c1)C(C)(C)C(=[N+]2C)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.71g/mol
Monoisotopic Mass:
318.062g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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