Benzoic acid, 2-(bromomethyl)-6-nitro-, methyl ester


Chemical Name: Benzoic acid, 2-(bromomethyl)-6-nitro-, methyl ester
CAS Number: 61940-21-4
Product Number: AG00EEG4(AGN-PC-03EVU5)
Synonyms:
MDL No:
Molecular Formula: C9H8BrNO4
Molecular Weight: 274.0681

Identification/Properties


Properties
MP:
84-86°C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
274.07g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
272.964g/mol
Monoisotopic Mass:
272.964g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
253
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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