5-Bromo-2-iodo-4-nitrotoluene


Chemical Name: 5-Bromo-2-iodo-4-nitrotoluene
CAS Number: 1160573-63-6
Product Number: AG01E5PT(AG01E5PT)
Synonyms:
MDL No:
Molecular Formula: C7H5BrINO2
Molecular Weight: 341.9286

Identification/Properties


Computed Properties
Molecular Weight:
341.93g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
340.855g/mol
Monoisotopic Mass:
340.855g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
185
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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