3-nitro-4-pyrazol-1-ylbenzoic acid


Chemical Name: 3-nitro-4-pyrazol-1-ylbenzoic acid
CAS Number: 162848-25-1
Product Number: AG001TH6(AGN-PC-0K5VGQ)
Synonyms:
MDL No: MFCD00141982
Molecular Formula: C10H7N3O4
Molecular Weight: 233.1803

Identification/Properties


Properties
BP:
436.2±40.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
233.183g/mol
XLogP3:
1.2
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:
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


Request for Quotation


Customer Feedback