Benzeneacetonitrile, 3-bromo-4-fluoro-


Chemical Name: Benzeneacetonitrile, 3-bromo-4-fluoro-
CAS Number: 501420-63-9
Product Number: AG0039ZM(AGN-PC-02MQTD)
Synonyms:
MDL No: MFCD08458154
Molecular Formula: C8H5BrFN
Molecular Weight: 214.0344

Identification/Properties


Computed Properties
Molecular Weight:
214.037g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
212.959g/mol
Monoisotopic Mass:
212.959g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
174
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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