chempirical

2-Fluoro-3-nitrobenzoic acid

C7H4FNO4CAS 317-46-4185.11 g/mol

Open in Covalent MOL file
N+OO−FOOH
Aryl halideCarboxylic acidNitro

Properties

Molecular formula
C7H4FNO4
Molar mass
185.11 g/mol
Exact mass
185.0124 Da
logP
1.43Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 3
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
317-46-4
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])F)C(=O)O
InChIKey
WLGUSLGYTNJJFV-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)

Weigh it out

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Work with 2-Fluoro-3-nitrobenzoic acid

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

2-Nitrobenzoic acid552-16-969 % similar 3-Nitrophthalic acid603-11-268 % similar 2-Chloro-3-nitrobenzoic acid3970-35-267 % similar 3-Nitrosalicylic acid85-38-167 % similar 2-Methyl-3-nitrobenzoic acid1975-50-465 % similar 2-Bromo-3-nitrobenzoic acid573-54-665 % similar 2-Amino-3-nitrobenzoic acid606-18-865 % similar 2,3,4-Trifluoro-5-nitro-benzoic acid197520-71-163 % similar

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

Same formula

3-Fluoro-2-nitrobenzoic acid1000339-51-4 3-Fluoro-5-nitrobenzoic acid14027-75-9 5-Fluoro-2-nitrobenzoic acid320-98-9 2-Fluoro-6-nitrobenzoic acid385-02-4 4-Fluoro-2-nitrobenzoic acid394-01-4 3-Fluoro-4-nitrobenzoic acid403-21-4 2-Fluoro-4-nitrobenzoic acid403-24-7 4-Fluoro-3-nitrobenzoic acid453-71-4

Elsewhere

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