4-imidazol-1-yl-3-nitrobenzoic acid


Chemical Name: 4-imidazol-1-yl-3-nitrobenzoic acid
CAS Number: 167626-67-7
Product Number: AG001XIE(AGN-PC-0JVOVZ)
Synonyms:
MDL No: MFCD01935984
Molecular Formula: C10H7N3O4
Molecular Weight: 233.1803

Identification/Properties


Computed Properties
Molecular Weight:
233.183g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
233.044g/mol
Monoisotopic Mass:
233.044g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
317
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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