Benzoic acid, 2-amino-5-iodo-, methyl ester


Chemical Name: Benzoic acid, 2-amino-5-iodo-, methyl ester
CAS Number: 77317-55-6
Product Number: AG003RMY(AGN-PC-0JWYNB)
Synonyms:
MDL No:
Molecular Formula: C8H8INO2
Molecular Weight: 277.0591

Identification/Properties


Properties
MP:
85 °C
BP:
156.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
277.061g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
276.96g/mol
Monoisotopic Mass:
276.96g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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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