1H-Imidazole-4-carboxylic acid, 5-nitro-1-(phenylmethyl)-


Chemical Name: 1H-Imidazole-4-carboxylic acid, 5-nitro-1-(phenylmethyl)-
CAS Number: 69195-96-6
Product Number: AG006BB3(AGN-PC-0NGJ2P)
Synonyms:
MDL No:
Molecular Formula: C11H9N3O4
Molecular Weight: 247.2069

Identification/Properties


Properties
BP:
522.165 °C at 760 mmHg
Storage:
2-8℃;Keep in dry area;
Computed Properties
Molecular Weight:
247.21g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
247.059g/mol
Monoisotopic Mass:
247.059g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
325
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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