Benzonitrile, 3-fluoro-


Chemical Name: Benzonitrile, 3-fluoro-
CAS Number: 403-54-3
Product Number: AG003JH8(AGN-PC-0JL83T)
Synonyms:
MDL No:
Molecular Formula: C7H4FN
Molecular Weight: 121.1118

Identification/Properties


Properties
MP:
−16 °C(lit.)
BP:
179.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.5043(lit.)
Computed Properties
Molecular Weight:
121.114g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
121.033g/mol
Monoisotopic Mass:
121.033g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
135
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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