2,4-Difluoro-5-formyl-benzonitrile


Chemical Name: 2,4-Difluoro-5-formyl-benzonitrile
CAS Number: 633327-10-3
Product Number: AG00EK94(AGN-PC-0WAL18)
Synonyms:
MDL No:
Molecular Formula: C8H3F2NO
Molecular Weight: 167.1123

Identification/Properties


Computed Properties
Molecular Weight:
167.115g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
167.018g/mol
Monoisotopic Mass:
167.018g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
222
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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