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


Chemical Name: Benzoic acid, 3-amino-4-iodo-, methyl ester
CAS Number: 412947-54-7
Product Number: AG003RR5(AGN-PC-03DRNR)
Synonyms:
MDL No:
Molecular Formula: C8H8INO2
Molecular Weight: 277.0591

Identification/Properties


Properties
MP:
134-136°C
BP:
344.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Light Sensitive
Computed Properties
Molecular Weight:
277.061g/mol
XLogP3:
1.7
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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