Benzoic acid, 5-amino-2-fluoro-, methyl ester


Chemical Name: Benzoic acid, 5-amino-2-fluoro-, methyl ester
CAS Number: 56741-34-5
Product Number: AG00E9QM(AGN-PC-00PZDU)
Synonyms:
MDL No:
Molecular Formula: C8H8FNO2
Molecular Weight: 169.1530

Identification/Properties


Properties
MP:
84-86°C
BP:
302.319 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
169.155g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
169.054g/mol
Monoisotopic Mass:
169.054g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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


NMR Spectrum


Other Analytical Data


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