Benzonitrile, 2,6-difluoro-4-formyl-


Chemical Name: Benzonitrile, 2,6-difluoro-4-formyl-
CAS Number: 433939-88-9
Product Number: AG0073XE(AGN-PC-03HHJB)
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:
210
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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