Benzonitrile, 2-chloro-4-fluoro-3-methyl-


Chemical Name: Benzonitrile, 2-chloro-4-fluoro-3-methyl-
CAS Number: 796600-15-2
Product Number: AG0038F9(AGN-PC-078OAT)
Synonyms:
MDL No:
Molecular Formula: C8H5ClFN
Molecular Weight: 169.5834

Identification/Properties


Computed Properties
Molecular Weight:
169.583g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
169.009g/mol
Monoisotopic Mass:
169.009g/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

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NMR Spectrum


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