5-iodo-2-methoxybenzonitrile


Chemical Name: 5-iodo-2-methoxybenzonitrile
CAS Number: 933672-32-3
Product Number: AG003MT1(AGN-PC-05W6O4)
Synonyms:
MDL No:
Molecular Formula: C8H6INO
Molecular Weight: 259.04381

Identification/Properties


Properties
MP:
122-124 °C
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
259.046g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
258.949g/mol
Monoisotopic Mass:
258.949g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
11
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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