1H-Pyrrole, 3-nitro-


Chemical Name: 1H-Pyrrole, 3-nitro-
CAS Number: 5930-94-9
Product Number: AG003JTY(AGN-PC-03FSXH)
Synonyms:
MDL No:
Molecular Formula: C4H4N2O2
Molecular Weight: 112.0868

Identification/Properties


Properties
MP:
100 °C
BP:
267.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
112.088g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
112.027g/mol
Monoisotopic Mass:
112.027g/mol
Topological Polar Surface Area:
61.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
98.7
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:
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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