ethyl 3-fluoro-4-nitrobenzoate


Chemical Name: ethyl 3-fluoro-4-nitrobenzoate
CAS Number: 914347-91-4
Product Number: AG00GUGJ(AGN-PC-07A1HU)
Synonyms:
MDL No: MFCD07782042
Molecular Formula: C9H8FNO4
Molecular Weight: 213.1625

Identification/Properties


Computed Properties
Molecular Weight:
213.164g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
213.044g/mol
Monoisotopic Mass:
213.044g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
253
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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