Benzoic acid, 3-bromo-5-iodo-, methyl ester


Chemical Name: Benzoic acid, 3-bromo-5-iodo-, methyl ester
CAS Number: 188813-07-2
Product Number: AG002HCF(AGN-PC-03I2AQ)
Synonyms:
MDL No:
Molecular Formula: C8H6BrIO2
Molecular Weight: 340.9405

Identification/Properties


Properties
MP:
59-64°C
BP:
334.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
340.942g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
339.86g/mol
Monoisotopic Mass:
339.86g/mol
Topological Polar Surface Area:
26.3A^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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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