Benzene, 4-bromo-1-iodo-2-nitro-


Chemical Name: Benzene, 4-bromo-1-iodo-2-nitro-
CAS Number: 112671-42-8
Product Number: AG007SJ2(AGN-PC-00O25O)
Synonyms:
MDL No:
Molecular Formula: C6H3BrINO2
Molecular Weight: 327.9020

Identification/Properties


Computed Properties
Molecular Weight:
327.903g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
326.839g/mol
Monoisotopic Mass:
326.839g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
161
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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