2,5-DIFLUORO-4-METHOXYBENZONITRILE


Chemical Name: 2,5-DIFLUORO-4-METHOXYBENZONITRILE
CAS Number: 1007605-44-8
Product Number: AG0002U4(AGN-PC-0L0PV8)
Synonyms:
MDL No: MFCD06246886
Molecular Formula: C8H5F2NO
Molecular Weight: 169.1282

Identification/Properties


Computed Properties
Molecular Weight:
169.131g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
169.034g/mol
Monoisotopic Mass:
169.034g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
201
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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