Methyl 2-fluoro-5-nitrobenzoate

C₈H₆FNO₄CAS 2965-22-2199.14 g/mol

Open in Covalent MOL file

Aryl halide Ester Nitro

Properties

Molecular formula: C₈H₆FNO₄
Molar mass: 199.14 g/mol
Exact mass: 199.0281 Da
logP: 1.52Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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 5-Fluoro-2-nitrobenzoic acid methyl ester393-85-1 5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-5 2-Fluoro-3-nitrobenzoic acid methyl ester946126-94-9

Elsewhere

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