4-bromo-2-fluoro-3-methylbenzonitrile


Chemical Name: 4-bromo-2-fluoro-3-methylbenzonitrile
CAS Number: 1114546-30-3
Product Number: AG00HC5A(AGN-PC-0CZQTJ)
Synonyms:
MDL No:
Molecular Formula: C8H5BrFN
Molecular Weight: 214.0344

Identification/Properties


Computed Properties
Molecular Weight:
214.037g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
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:
186
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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