2-bromo-5-iodobenzonitrile


Chemical Name: 2-bromo-5-iodobenzonitrile
CAS Number: 1252046-13-1
Product Number: AG000NBR(AGN-PC-07A28R)
Synonyms:
MDL No:
Molecular Formula: C7H3BrIN
Molecular Weight: 307.9139

Identification/Properties


Computed Properties
Molecular Weight:
307.916g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
306.849g/mol
Monoisotopic Mass:
306.849g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
162
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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