tert-butyl 5-cyano-3-iodoindole-1-carboxylate


Chemical Name: tert-butyl 5-cyano-3-iodoindole-1-carboxylate
CAS Number: 864685-26-7
Product Number: AG004MS8(AGN-PC-01LQTX)
Synonyms:
MDL No:
Molecular Formula: C14H13IN2O2
Molecular Weight: 368.1697

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Light Sensitive
Computed Properties
Molecular Weight:
368.174g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
368.002g/mol
Monoisotopic Mass:
368.002g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
409
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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