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


Chemical Name: Benzoic acid, 4-fluoro-2-nitro-, methyl ester
CAS Number: 151504-81-3
Product Number: AG003RV7(AGN-PC-003279)
Synonyms:
MDL No: MFCD09800921
Molecular Formula: C8H6FNO4
Molecular Weight: 199.1359

Identification/Properties


Properties
BP:
272.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
199.137g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
199.028g/mol
Monoisotopic Mass:
199.028g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
240
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

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NMR Spectrum


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Chemical Structure



Methyl 4-fluoro-2-nitrobenzoate can serve as a valuable building block in chemical synthesis processes by participating in various organic reactions. This compound's unique structure makes it ideal for use in the creation of diverse products, including pharmaceuticals, agrochemicals, and advanced materials. With its strategic placement of functional groups, Methyl 4-fluoro-2-nitrobenzoate offers significant versatility in forming new carbon-carbon and carbon-heteroatom bonds. This versatility enables chemists to design and construct complex molecules with precision and efficiency, making it a key component in the synthesis of novel organic compounds.