Ethyl 2-Nitro-4-(1-pyrazolyl)benzoate


Chemical Name: Ethyl 2-Nitro-4-(1-pyrazolyl)benzoate
CAS Number: 1375064-66-6
Product Number: AG0013ET(AGN-PC-0WAD38)
Synonyms:
MDL No: MFCD22205849
Molecular Formula: C12H11N3O4
Molecular Weight: 261.2334

Identification/Properties


Computed Properties
Molecular Weight:
261.237g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
261.075g/mol
Monoisotopic Mass:
261.075g/mol
Topological Polar Surface Area:
89.9A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
344
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-H320-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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