chempirical

Methyl 2-fluoro-5-nitrobenzoate

C8H6FNO4CAS 2965-22-2199.14 g/mol

Open in Covalent MOL file
OON+OO−F
Aryl halideEsterNitro

Properties

Molecular formula
C8H6FNO4
Molar mass
199.14 g/mol
Exact mass
199.0281 Da
logP
1.52Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2965-22-2
SMILES
COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F
InChIKey
JZLONOOYIXEAHM-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3

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Work with Methyl 2-fluoro-5-nitrobenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl 4-nitrophthalate610-22-074 % similar Methyl 2-methyl-5-nitrobenzoate77324-87-969 % similar Methyl 5-nitrosalicylate17302-46-467 % similar Methyl 2-methoxy-5-nitrobenzoate34841-11-767 % similar Methyl 2-amino-5-nitrobenzoate3816-62-467 % similar Methyl 2-chloro-5-nitrobenzoate6307-82-067 % similar Methyl 2-bromo-5-nitrobenzoate6942-36-567 % similar Methyl 2-methyl-4-nitrobenzoate62621-09-465 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 4-fluoro-2-nitrobenzoate151504-81-3 Methyl 3-fluoro-4-nitrobenzoate185629-31-6 (4-Fluoro-3-nitrophenyl)acetic acid192508-36-4 2-(5-Fluoro-2-nitrophenyl)acetic acid29640-98-0 Methyl 4-fluoro-3-nitrobenzoate329-59-9 Methyl 5-fluoro-2-nitrobenzoate393-85-1 5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-5 2-Fluoro-3-nitrobenzoic acid methyl ester946126-94-9

Elsewhere

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