Benzoic acid, 4-iodo-, methyl ester


Chemical Name: Benzoic acid, 4-iodo-, methyl ester
CAS Number: 619-44-3
Product Number: AG00342U(AGN-PC-09RD8A)
Synonyms:
MDL No:
Molecular Formula: C8H7IO2
Molecular Weight: 262.0445

Identification/Properties


Properties
MP:
113-117 °C
BP:
276.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Light Sensitive
Computed Properties
Molecular Weight:
262.046g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
261.949g/mol
Monoisotopic Mass:
261.949g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
139
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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