2-Fluoro-6-nitrobenzoic acid

C₇H₄FNO₄CAS 385-02-4185.11 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

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

385-02-4

SMILES

O=C(O)c1c(F)cccc1[N+](=O)[O-]

InChIKey

MPDZCNPDHUUPRL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 2-fluoro-6-nitro-
6-Fluoro-2-nitrobenzoic acid

Work with 2-Fluoro-6-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

3-Nitrophthalic acid603-11-268 % similar 2,6-Difluoro-3-nitrobenzoic acid83141-10-068 % similar 2-Chloro-6-nitrobenzoic acid5344-49-067 % similar 2-Methyl-6-nitrobenzoic acid13506-76-865 % similar 2-Amino-6-nitro-benzoic acid50573-74-565 % similar 2,6-Difluorobenzoic acid385-00-262 % similar 2-Fluoro-6-nitro-N-phenylbenzamide870281-83-758 % similar 1,2-Difluoro-3-nitrobenzene6921-22-857 % 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 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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