Benzonitrile, 2-bromo-5-fluoro-


Chemical Name: Benzonitrile, 2-bromo-5-fluoro-
CAS Number: 57381-39-2
Product Number: AG003GPN(AGN-PC-01413K)
Synonyms:
MDL No: MFCD00142875
Molecular Formula: C7H3BrFN
Molecular Weight: 200.0078

Identification/Properties


Properties
MP:
92-95 °C(lit.)
BP:
251.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Solubility:
Soluble in methanol.
Computed Properties
Molecular Weight:
200.01g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
198.943g/mol
Monoisotopic Mass:
198.943g/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


NMR Spectrum


Other Analytical Data


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