METHYL 2-CYANO-3-NITROBENZOATE


Chemical Name: METHYL 2-CYANO-3-NITROBENZOATE
CAS Number: 77326-46-6
Product Number: AG003563(AGN-PC-0WAFNF)
Synonyms:
MDL No:
Molecular Formula: C9H6N2O4
Molecular Weight: 206.1549

Identification/Properties


Properties
MP:
140-142°C
BP:
394.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
206.157g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
206.033g/mol
Monoisotopic Mass:
206.033g/mol
Topological Polar Surface Area:
95.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
314
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


NMR Spectrum


Other Analytical Data


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