1H-Indole-3-carboxylic acid, 4-iodo-, methyl ester


Chemical Name: 1H-Indole-3-carboxylic acid, 4-iodo-, methyl ester
CAS Number: 101909-44-8
Product Number: AG0005X1(AGN-PC-0K6A4D)
Synonyms:
MDL No:
Molecular Formula: C10H8INO2
Molecular Weight: 301.0805

Identification/Properties


Computed Properties
Molecular Weight:
301.083g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
300.96g/mol
Monoisotopic Mass:
300.96g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
234
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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