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


Chemical Name: Benzoic acid, 3-iodo-4-methyl-, methyl ester
CAS Number: 90347-66-3
Product Number: AG003RSL(AGN-PC-00NAQY)
Synonyms:
MDL No: MFCD00230583
Molecular Formula: C9H9IO2
Molecular Weight: 276.0710

Identification/Properties


Properties
MP:
93-95°C
BP:
302.9 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Stability:
Light Sensitive
Refractive Index:
1.5975
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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