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1332588-43-8 | 1H-Indole-5-carboxylic acid, 2-cyano-3-iodo-, ethyl ester
CAS No: 1332588-43-8 Catalog No: AG0014HH MDL No:
Product Description
Catalog Number:
AG0014HH
Chemical Name:
1H-Indole-5-carboxylic acid, 2-cyano-3-iodo-, ethyl ester
CAS Number:
1332588-43-8
Molecular Formula:
C12H9IN2O2
Molecular Weight:
340.1165
IUPAC Name:
ethyl 2-cyano-3-iodo-1H-indole-5-carboxylate
InChI:
InChI=1S/C12H9IN2O2/c1-2-17-12(16)7-3-4-9-8(5-7)11(13)10(6-14)15-9/h3-5,15H,2H2,1H3
InChI Key:
MHCBJFHQVVOAOG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)c(I)c([nH]2)C#N
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.971g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.12g/mol
Monoisotopic Mass:
339.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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