Benzoic acid, 2-fluoro-5-formyl-


Chemical Name: Benzoic acid, 2-fluoro-5-formyl-
CAS Number: 550363-85-4
Product Number: AG0037M1(AGN-PC-01XFXJ)
Synonyms:
MDL No:
Molecular Formula: C8H5FO3
Molecular Weight: 168.1219

Identification/Properties


Properties
MP:
174.5-178.5 °C
BP:
330.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
168.123g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
168.022g/mol
Monoisotopic Mass:
168.022g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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