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Home > Indoles and Oxindole > 667427-11-4
667427-11-4 | 3H-Indolium, 2,3,3-trimethyl-5-nitro-1-propyl-, perchlorate
CAS No: 667427-11-4 Catalog No: AG006I58 MDL No:
Product Description
Catalog Number:
AG006I58
Chemical Name:
3H-Indolium, 2,3,3-trimethyl-5-nitro-1-propyl-, perchlorate
CAS Number:
667427-11-4
Molecular Formula:
C14H19ClN2O6
Molecular Weight:
346.7635
IUPAC Name:
2,3,3-trimethyl-5-nitro-1-propylindol-1-ium;perchlorate
InChI:
InChI=1S/C14H19N2O2.ClHO4/c1-5-8-15-10(2)14(3,4)12-9-11(16(17)18)6-7-13(12)15;2-1(3,4)5/h6-7,9H,5,8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
GQPKMBVUBHNIAF-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCC[N+]1=C(C)C(c2c1ccc(c2)[N+](=O)[O-])(C)C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.764g/mol
Monoisotopic Mass:
346.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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