Benzoic acid, 4-iodo-3-methyl-, methyl ester


Chemical Name: Benzoic acid, 4-iodo-3-methyl-, methyl ester
CAS Number: 5471-81-8
Product Number: AG003RVQ(AGN-PC-0JO9NJ)
Synonyms:
MDL No:
Molecular Formula: C9H9IO2
Molecular Weight: 276.0710

Identification/Properties


Properties
MP:
59-62 °C
BP:
299°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Light Sensitive
Solubility:
Slightly soluble in methanol.
Computed Properties
Molecular Weight:
276.073g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
275.965g/mol
Monoisotopic Mass:
275.965g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
170
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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