Benzoic acid, 4-amino-2-fluoro-, methyl ester


Chemical Name: Benzoic acid, 4-amino-2-fluoro-, methyl ester
CAS Number: 73792-08-2
Product Number: AG008Q0U(AGN-PC-03IAUL)
Synonyms:
MDL No:
Molecular Formula: C8H8FNO2
Molecular Weight: 169.1530

Identification/Properties


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


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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