Benzoic acid, 3-iodo-2-methyl-


Chemical Name: Benzoic acid, 3-iodo-2-methyl-
CAS Number: 133232-56-1
Product Number: AG0014G2(AGN-PC-0KK6SO)
Synonyms:
MDL No:
Molecular Formula: C8H7IO2
Molecular Weight: 262.0444

Identification/Properties


Computed Properties
Molecular Weight:
262.046g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
261.949g/mol
Monoisotopic Mass:
261.949g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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