3-Fluoro-5-nitrobenzoic acid

C₇H₄FNO₄CAS 14027-75-9185.11 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Nitro

Properties

Molecular formula: C₇H₄FNO₄
Molar mass: 185.11 g/mol
Exact mass: 185.0124 Da
logP: 1.43Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

14027-75-9

SMILES

C1=C(C=C(C=C1[N+](=O)[O-])F)C(=O)O

InChIKey

VIPUIECMSDQUIK-UHFFFAOYSA-N

InChI

InChI=1S/C7H4FNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-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

5-Nitroisophthalic acid618-88-276 % similar 3-Nitro-5-(trifluoromethyl)benzoic acid328-80-365 % similar 3-Carboxy-5-nitrophenylboronic acid101084-81-561 % similar 1,3-Difluoro-5-nitrobenzene2265-94-361 % similar 3,5-Difluorobenzoic acid455-40-361 % similar 1-Methyl 5-nitro-1,3-benzenedicarboxylate1955-46-058 % similar 1-Bromo-3-fluoro-5-nitrobenzene7087-65-253 % similar 5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-552 % similar

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

Same formula

3-Fluoro-2-nitrobenzoic acid1000339-51-4 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 4-Fluoro-3-nitrobenzoic acid453-71-4

Elsewhere

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