Benzoic acid, 2-methyl-3,5-dinitro-, methyl ester


Chemical Name: Benzoic acid, 2-methyl-3,5-dinitro-, methyl ester
CAS Number: 52090-24-1
Product Number: AG003ROL(AGN-PC-0KZ87X)
Synonyms:
MDL No: MFCD00229501
Molecular Formula: C9H8N2O6
Molecular Weight: 240.1696

Identification/Properties


Properties
BP:
367.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
240.171g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
240.038g/mol
Monoisotopic Mass:
240.038g/mol
Topological Polar Surface Area:
118A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
333
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#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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