Benzoic acid, 2-hydroxy-3,5-dinitro-


Chemical Name: Benzoic acid, 2-hydroxy-3,5-dinitro-
CAS Number: 609-99-4
Product Number: AG0033JS(AGN-PC-0JKA9Y)
Synonyms:
MDL No:
Molecular Formula: C7H4N2O7
Molecular Weight: 228.1159

Identification/Properties


Properties
MP:
170 °C
BP:
387.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5300 (estimate)
Solubility:
H2O: soluble50mg/mL
Computed Properties
Molecular Weight:
228.116g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
228.002g/mol
Monoisotopic Mass:
228.002g/mol
Topological Polar Surface Area:
149A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
320
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
Precautionary Statements:
P301+P312+P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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