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Home > Indoles and Oxindole > 86879-81-4
86879-81-4 | 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate
CAS No: 86879-81-4 Catalog No: AG004IC1 MDL No:
Product Description
Catalog Number:
AG004IC1
Chemical Name:
3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate
CAS Number:
86879-81-4
Molecular Formula:
C17H18ClNO4
Molecular Weight:
335.7821
IUPAC Name:
2,3,3-trimethyl-1-phenylindol-1-ium;perchlorate
InChI:
InChI=1S/C17H18N.ClHO4/c1-13-17(2,3)15-11-7-8-12-16(15)18(13)14-9-5-4-6-10-14;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
CBQCJFPSHOKPAH-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CC1=[N+](c2ccccc2)c2c(C1(C)C)cccc2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.092g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.784g/mol
Monoisotopic Mass:
335.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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