chempirical

2-Fluoro-5-nitrobenzoic acid

C7H4FNO4CAS 7304-32-7185.11 g/mol

Open in Covalent MOL file
N+OO−OOHF
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
7304-32-7
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)F
InChIKey
ICXSHFWYCHJILC-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)

Weigh it out

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Work with 2-Fluoro-5-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

4-Nitrophthalic acid610-27-572 % similar 4,4'-Dinitrodiphenic acid20246-81-570 % similar 2,5-Dinitrobenzoic acid610-28-668 % similar 5-Nitrosalicylic acid96-97-967 % similar 2-Methyl-5-nitrobenzoic acid1975-52-665 % similar 2-Chloro-5-nitrobenzoic acid2516-96-365 % similar 2-Amino-5-nitrobenzoic acid616-79-565 % similar 1-(2-Fluoro-5-nitrophenyl)ethan-1-one79110-05-765 % 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 2-Fluoro-3-nitrobenzoic acid317-46-4 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

Elsewhere

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