1H-Indole-2-carboxylic acid, 5-nitro-, ethyl ester


Chemical Name: 1H-Indole-2-carboxylic acid, 5-nitro-, ethyl ester
CAS Number: 16732-57-3
Product Number: AG001XAX(AGN-PC-0JP4W3)
Synonyms:
MDL No: MFCD00216477
Molecular Formula: C11H10N2O4
Molecular Weight: 234.2081

Identification/Properties


Properties
MP:
220-225 °C
BP:
429.5 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Refractive Index:
1.5300 (estimate)
Computed Properties
Molecular Weight:
234.211g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
234.064g/mol
Monoisotopic Mass:
234.064g/mol
Topological Polar Surface Area:
87.9A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
315
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


NMR Spectrum


Other Analytical Data


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