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Home > Indoles and Oxindole > 746597-93-3
746597-93-3 | 1H-Indole-2-diazonium, 3-(ethoxycarbonyl)-
CAS No: 746597-93-3 Catalog No: AG005IHX MDL No:
Product Description
Catalog Number:
AG005IHX
Chemical Name:
1H-Indole-2-diazonium, 3-(ethoxycarbonyl)-
CAS Number:
746597-93-3
Molecular Formula:
C11H10N3O2+
Molecular Weight:
216.2160
IUPAC Name:
3-ethoxycarbonyl-1H-indole-2-diazonium
InChI:
InChI=1S/C11H9N3O2/c1-2-16-11(15)9-7-5-3-4-6-8(7)13-10(9)14-12/h3-6H,2H2,1H3/p+1
InChI Key:
PCVBBVPSSDBLSF-UHFFFAOYSA-O
SMILES:
CCOC(=O)c1c([N+]#N)[nH]c2c1cccc2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.077g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.22g/mol
Monoisotopic Mass:
216.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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