Benzoic acid, 4-cyano-2-fluoro-


Chemical Name: Benzoic acid, 4-cyano-2-fluoro-
CAS Number: 164149-28-4
Product Number: AG001UO2(AGN-PC-0JTESY)
Synonyms:
MDL No:
Molecular Formula: C8H4FNO2
Molecular Weight: 165.1213

Identification/Properties


Properties
MP:
214-216°C
BP:
326.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
165.123g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
165.023g/mol
Monoisotopic Mass:
165.023g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
233
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-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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