Benzoic acid, 2-bromo-5-nitro-, methyl ester


Chemical Name: Benzoic acid, 2-bromo-5-nitro-, methyl ester
CAS Number: 6942-36-5
Product Number: AG0036LZ(AGN-PC-0JOINH)
Synonyms:
MDL No:
Molecular Formula: C8H6BrNO4
Molecular Weight: 260.0415

Identification/Properties


Properties
MP:
79-81 °C(lit.)
BP:
326.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
260.043g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
258.948g/mol
Monoisotopic Mass:
258.948g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
240
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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