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


Chemical Name: Benzoic acid, 2-amino-4-fluoro-, ethyl ester
CAS Number: 117324-05-7
Product Number: AG000E42(AGN-PC-000SHQ)
Synonyms:
MDL No:
Molecular Formula: C9H10FNO2
Molecular Weight: 183.1796

Identification/Properties


Computed Properties
Molecular Weight:
183.182g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
183.07g/mol
Monoisotopic Mass:
183.07g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
187
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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