1H-Indole-3-carboxylic acid, 5-nitro-


Chemical Name: 1H-Indole-3-carboxylic acid, 5-nitro-
CAS Number: 6958-37-8
Product Number: AG005WEI(AGN-PC-0JOKDQ)
Synonyms:
MDL No:
Molecular Formula: C9H6N2O4
Molecular Weight: 206.1549

Identification/Properties


Properties
MP:
254-258°C
BP:
520.8 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
206.157g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
206.033g/mol
Monoisotopic Mass:
206.033g/mol
Topological Polar Surface Area:
98.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
288
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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